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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 5/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.50 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | HPGD | P15428 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | CA9 | Q16790 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CASP6 | P55212 | 2/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL146865 | 1.00 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL29374840 | 1.00 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL7920628 | 1.00 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1CA9CA12 | |
| Lithium Ion SCHEMBL11527719 | 0.97 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL7202147 | 0.88 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL341089 | 0.88 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL10337685 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL93200 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1CA9CA12 | |
| SCHEMBL29376983 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1CA9CA12 | |
| Water SCHEMBL5050373 | 0.84 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1CA9CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11384033-B2 | Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants | BASF SE (DE) | 2022-07-12 | — | — | 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 (1 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-11384033-B2 | Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants | SLC14A1, XDH, PNP | CA12 314/4885CA1 464/4885CA2 162/4885 |
“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.