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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468573 | 0.87 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10348204 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL851166 | 0.79 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL11204080 | 0.79 | LTA4H (0.46) | ALDH1A1 | |
| SCHEMBL3364128 | 0.78 | KCNA3 (0.52) | ALDH1A1KMT2AMEN1CA12CA1 | |
| SCHEMBL5583897 | 0.77 | CA12 (0.48) | ALDH1A1SMN1; SMN2LMNARAB9ACA12 | |
| SCHEMBL8551794 | 0.77 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL5090074 | 0.77 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL8204708 | 0.77 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL22190236 | 0.76 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0223373-B1 | WATER-SOLUBLE PHOTOINITIATORS | AUTOTYPE INTERNATIONAL LIMITED (GB) | 1990-04-18 | — | — | EP | disclosed |
| US-4824765-A | DIBENZALKETONES | AUTOTYPE INTERNATIONAL LIMITED, A BRITISH CO. (GB) | 1989-04-25 | — | — | US | disclosed |
| EP-0223373-A1 | Water-soluble photoinitiators | AUTOTYPE INTERNATIONAL LIMITED (GB) | 1987-05-27 | — | — | EP | disclosed |