Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Chlorambucil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.73 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.73 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.73 |
| ▸ | CA12 known ✓ | O43570 | 6/20 | 0.57 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.57 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.57 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.73 |
| ▸ | MAPT | P10636 | 2/20 | 0.73 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.73 |
| ▸ | THPO | P40225 | 2/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.73 |
| ▸ | GMNN | O75496 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.68 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Chlorambucil SCHEMBL11252814 | 0.97 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Chlorambucil SCHEMBL10344037 | 0.97 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL2113384 | 0.84 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Chlorambucil SCHEMBL5318105 | 0.84 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL11516322 | 0.84 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Chlorambucil SCHEMBL4308 | 0.84 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL7470724 | 0.84 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Chlorambucil SCHEMBL23753952 | 0.83 | SMN1; SMN2 (0.97) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Chlorambucil SCHEMBL5846926 | 0.83 | SMN1; SMN2 (0.97) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL21698591 | 0.83 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230097823-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | TECHFIELDS PHARMA CO., LTD (CN) | 2023-03-30 | — | — | US | disclosed |
| CN-115666246-A | Selective herbicides based on substituted isoxazoline carboxamides and oxadiazons | 拜耳公司 | 2023-01-31 | — | — | CN | disclosed |
| US-11479527-B2 | High penetration prodrug compositions of mustards and mustard-related compounds | TECHFIELDS PHARMA CO., LTD. (CN) | 2022-10-25 | — | — | US | disclosed |
| US-20190233367-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | PREMIER RESEARCH INTERNATIONAL, LLC | 2019-08-01 | — | — | US | disclosed |
| US-10189774-B2 | High penetration prodrug compositions of mustards and mustard-related compounds | TECHFIELDS PHARMA CO., LTD. (CN) | 2019-01-29 | — | — | US | disclosed |
| EP-2792670-A1 | Positively charged water-soluble prodrugs of mustards and related compounds with very high skin penetration rates | Techfields Biochem Co. Ltd (CN) | 2014-10-22 | — | — | EP | disclosed |
| EP-2077991-B1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF MUSTARDS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES | TECHFIELDS BIOCHEM CO LTD (CN) | 2014-02-26 | — | — | EP | disclosed |
| US-20100069336-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | TECHFIELDS PHARMA CO., LTD. (CN) | 2010-03-18 | — | — | US | disclosed |
| EP-2077991-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF MUSTARDS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES | Techfields Biochem Co. Ltd (CN) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008041059-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF MUSTARDS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES | TECHFIELDS BIOCHEM CO. LTD (CN) | 2008-04-10 | — | — | WO | disclosed |
| US-4332797-A | ANTITUMOR AGENTS | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-06-01 | — | — | US | disclosed |
| US-4261910-A | COUPLING WITH ESTRADIOL THROUGH DIFUNCTIONAL COMPOUND | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1981-04-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100069336-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | HPD, NOTUM, HASPIN | GABRA1 3859/4885GABRA2 3931/4885GABRB2 3068/4885 |
| US-10189774-B2 | High penetration prodrug compositions of mustards and mustard-related compounds | HPD, NOTUM, HASPIN | GABRA1 3859/4885GABRA2 3931/4885GABRB2 3068/4885 |
| US-11479527-B2 | High penetration prodrug compositions of mustards and mustard-related compounds | HPD, NOTUM, HASPIN | GABRA1 3859/4885GABRA2 3931/4885GABRB2 3068/4885 |
| US-20190233367-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | HPD, NOTUM, HASPIN | GABRA1 3859/4885GABRA2 3931/4885GABRB2 3068/4885 |
| US-20230097823-A1 | HIGH PENETRATION PRODRUG COMPOSITIONS OF MUSTARDS AND MUSTARD-RELATED COMPOUNDS | HPD, NOTUM, HASPIN | GABRA1 3859/4885GABRA2 3931/4885GABRB2 3068/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.