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 | 7/20 | 0.34 |
| ▸ | P2RY2 known ✓ | P41231 | 3/20 | 0.34 |
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.32 |
| ▸ | P2RY1 known ✓ | P47900 | 1/20 | 0.31 |
| ▸ | P2RY6 known ✓ | Q15077 | 1/20 | 0.31 |
| ▸ | PKLR | P30613 | 3/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9436136 | 0.81 | MYC (0.39) | P2RY4PGAM1CDK2SLC6A2CYP2D6 | |
| SCHEMBL11658387 | 0.79 | GABRA1 (0.42) | PKLRFTOP2RY4P2RY2PTPN1 | |
| SCHEMBL28530830 | 0.75 | MMP2 (0.40) | PKLRFTOP2RY4P2RY2PTPN1 | |
| Potassium Ion SCHEMBL23749101 | 0.75 | GABRA1 (0.42) | PKLRP2RY4P2RY2SLC6A2 | |
| SCHEMBL1058401 | 0.74 | CTSB (0.50) | PKLRFTOP2RY4P2RY2CYP2D6 | |
| SCHEMBL1289429 | 0.72 | PKLR (0.33) | PKLRFTOP2RY4P2RY2PTPN1 | |
| SCHEMBL4431324 | 0.72 | CYP2D6 (0.47) | PKLRFTOP2RY4P2RY2PTPN1 | |
| SCHEMBL28459186 | 0.72 | PNMT (0.40) | PKLRFTOP2RY4P2RY2P2RY12 | |
| SCHEMBL29538773 | 0.72 | FTO (0.39) | PKLRFTOP2RY4P2RY2PTPN1 | |
| SCHEMBL30665407 | 0.72 | CYP2D6 (0.47) | PKLRFTOP2RY4P2RY2PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5637763-A | Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N,N'-substituted ureas | CIBA-GEIGY CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0584043-B1 | Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas | CIBA GEIGY AG (CH) | 1996-10-30 | — | — | EP | disclosed |
| US-5508402-A | Process for the preparation of N,N'-substituted ureas | CIBA-GEIGY CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |
| EP-0584043-A1 | Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas | CIBA-GEIGY AG (CH) | 1994-02-23 | — | — | EP | disclosed |