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 | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 4/20 | 0.40 |
| ▸ | P2RY2 known ✓ | P41231 | 3/20 | 0.40 |
| ▸ | P2RY6 known ✓ | Q15077 | 2/20 | 0.40 |
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.34 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | P2RY13 | Q9BPV8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7536286 | 0.87 | CARM1 (0.42) | PRMT1CARM1KMT2AALDH1A1PTPN7 | |
| SCHEMBL7536273 | 0.86 | CARM1 (0.42) | PRMT1CARM1KMT2AALDH1A1PTPN7 | |
| SCHEMBL29525028 | 0.79 | PRMT1 (0.53) | PRMT1CARM1P2RY4P2RY2P2RY6 | |
| SCHEMBL30371796 | 0.75 | FUT8 (0.44) | PRMT1CARM1P2RY4P2RY2P2RY6 | |
| SCHEMBL7537839 | 0.70 | CA12 (0.49) | PRMT1CARM1ALDH1A1PTPN7PTPN11 | |
| SCHEMBL13879888 | 0.69 | ENPP2 (0.47) | PRMT1CARM1KMT2AALDH1A1PTPN7 | |
| SCHEMBL29637789 | 0.67 | PRMT1 (0.71) | PRMT1CARM1P2RY4P2RY2P2RY6 | |
| SCHEMBL2204072 | 0.66 | P2RY4 (0.57) | P2RY4P2RY2P2RY6P2RY12P2RY13 | |
| SCHEMBL29385652 | 0.66 | FUT8 (0.58) | PRMT1CARM1P2RY4P2RY2P2RY6 | |
| SCHEMBL16163360 | 0.65 | CA12 (0.72) | KMT2AALDH1A1CA12CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002024816-A1 | ROTAXANE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |