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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.31 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.31 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.30 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27745298 | 0.79 | CES1 (0.36) | LMNACES1TDP2NSD2HSP90AA1 | |
| SCHEMBL7714974 | 0.76 | RAPGEF4 (0.55) | LMNATDP1ALDH1A1CA2 | |
| SCHEMBL8376958 | 0.73 | LMNA (0.37) | LMNATDP1CES1CDK1CCNB1 | |
| SCHEMBL30600038 | 0.69 | LMNA (0.67) | LMNATDP1ALDH1A1PTGS2P2RY4 | |
| SCHEMBL13278270 | 0.69 | LMNA (0.67) | LMNATDP1ALDH1A1PTGS2P2RY4 | |
| SCHEMBL8887426 | 0.69 | LMNA (0.67) | LMNATDP1ALDH1A1PTGS2PTGS1 | |
| SCHEMBL10932623 | 0.68 | LMNA (0.48) | LMNATDP1TDP2NSD2HSP90AA1 | |
| Silver SCHEMBL11081907 | 0.67 | KMT2A (0.42) | LMNATDP1ALDH1A1 | |
| SCHEMBL4091751 | 0.67 | TDP2 (0.39) | LMNATDP1TDP2NSD2HSP90AA1 | |
| SCHEMBL359728 | 0.67 | TDP1 (0.46) | LMNATDP1ALDH1A1FFAR4CA2 |
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-3962251-A | NITRIC ACID | ALLIED CHEMICAL CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |