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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | PREP | P48147 | 1/20 | 0.45 |
| ▸ | FAP | Q12884 | 1/20 | 0.45 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.45 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592715 | 0.87 | ALDH1A1 (0.61) | ALDH1A1VNN1HTTCA2L3MBTL1 | |
| SCHEMBL4893223 | 0.83 | ALDH1A1 (0.66) | ALDH1A1VNN1CA2DPP4PREP | |
| SCHEMBL2226530 | 0.83 | ALDH1A1 (0.66) | ALDH1A1VNN1CA2DPP4PREP | |
| SCHEMBL10770322 | 0.82 | ALDH1A1 (0.51) | ALDH1A1VNN1DPP4PREPFAP | |
| SCHEMBL10770319 | 0.82 | ALDH1A1 (0.51) | ALDH1A1VNN1HTTHPGDDPP4 | |
| SCHEMBL7588046 | 0.81 | ALDH1A1 (0.71) | ALDH1A1HTTCA12CA1CA2 | |
| SCHEMBL2157261 | 0.80 | GAA (0.64) | ALDH1A1KDM4E | |
| SCHEMBL27937192 | 0.79 | PREP (0.51) | ALDH1A1HTTHPGDDPP4PREP | |
| SCHEMBL2226633 | 0.79 | MMP2 (0.52) | ALDH1A1VNN1DPP4PREPFAP | |
| SCHEMBL10153787 | 0.79 | VNN1 (0.51) | ALDH1A1VNN1DPP4PREPFAP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2361253-A1 | COMPOUNDS | Selcia Limited (GB) | 2011-08-31 | — | — | EP | disclosed |
| US-20110184011-A1 | Compounds | SELCIA LIMITED (GB) | 2011-07-28 | — | — | US | disclosed |
| WO-2010029364-A1 | COMPOUNDS | SELCIA LIMITED (GB) | 2010-03-18 | — | — | WO | disclosed |
| 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 (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-20110184011-A1 | Compounds | COL1A1, ALDH1A2, COL2A1 | CA12 707/4885CA1 1804/4885CA2 2002/4885 |
| 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.