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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.45 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.42 |
| ▸ | RNPEP | Q9H4A4 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11343824 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL31127433 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| Zinc Ion SCHEMBL10895658 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL9785690 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL11618251 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL10745851 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL11571895 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL11528335 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL11053652 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A | |
| SCHEMBL11305889 | 0.96 | CA1 (0.41) | CA1CA2RNPEPKDM4CKDM4A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4159261-A | DISCOLORATION INHIBITION | DART INDUSTRIES INC. (US) | 1979-06-26 | — | — | US | disclosed |
| US-4115352-A | METAL SALT OF A MERCAPTAN OR MERCAPTO ACID, ORGANOMETALLICS CONTAINING SULFUR | PENNWALT CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |