Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 7/20 | 0.33 |
| ▸ | PTGS2 known ✓ | P35354 | 7/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.33 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL3049681 | 0.96 | MGLL (0.35) | MGLLALDH1A1NPSR1LMNABLM | |
| Potassium Ion SCHEMBL6473268 | 0.96 | MGLL (0.35) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL964946 | 0.80 | DNMT1 (0.44) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL11975541 | 0.80 | MGLL (0.38) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL6567846 | 0.78 | LMNA (0.47) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL258605 | 0.76 | CA2 (0.45) | MGLLALDH1A1LMNAMAPTCYP2C19 | |
| Zinc Ion SCHEMBL258486 | 0.76 | CA2 (0.45) | MGLLALDH1A1LMNAMAPTCYP2C19 | |
| SCHEMBL5161621 | 0.76 | ALDH1A1 (0.42) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL5162230 | 0.76 | GSK3A (0.49) | MGLLALDH1A1NPSR1LMNABLM | |
| SCHEMBL5164277 | 0.73 | ALDH1A1 (0.40) | MGLLALDH1A1NPSR1LMNABLM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100035799-A1 | METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2010-02-11 | — | — | US | disclosed |
| US-20050239688-A1 | Method for the synthesis of anthracycline-peptide conjugates | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2005-10-27 | — | — | US | disclosed |
| EP-1525002-A1 | METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004011033-A1 | METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES | UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) | 2004-02-05 | — | — | WO | 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 (2 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-20100035799-A1 | METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES | C9, DOHH, THOP1 | PTGS1 4689/4885PTGS2 4437/4885CA2 3695/4885 |
| US-20050239688-A1 | Method for the synthesis of anthracycline-peptide conjugates | C9, DOHH, THOP1 | PTGS1 4689/4885PTGS2 4437/4885CA2 3695/4885 |
“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.