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 | 1/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.54 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7589116 | 0.87 | ALDH1A1 (0.92) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3CA2 | |
| SCHEMBL7585371 | 0.81 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 | |
| SCHEMBL2157240 | 0.81 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CA12CA1CA2 | |
| SCHEMBL21696815 | 0.77 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 | |
| SCHEMBL18706643 | 0.77 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 | |
| SCHEMBL18706645 | 0.77 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 | |
| SCHEMBL5909274 | 0.76 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3CA12 | |
| SCHEMBL14991641 | 0.73 | L3MBTL3 (0.74) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 | |
| SCHEMBL21697330 | 0.73 | ALDH1A1 (0.60) | ALDH1A1POLBMEN1CYP3A4CYP2C9 | |
| SCHEMBL18734159 | 0.72 | L3MBTL3 (0.72) | ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2 |
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-20020006380-A1 | Pyrrole derivatives, their preparation and pharmaceutical compositions containing them | MIGNANI SERGE (FR) | 2002-01-17 | — | — | 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-20020006380-A1 | Pyrrole derivatives, their preparation and pharmaceutical compositions containing them | TNF, IL2, ZC3HAV1 | CA12 4480/4885CA1 4335/4885CA2 3433/4885 |
“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.