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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 9/20 | 0.37 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.37 |
| ▸ | MMP1 | P03956 | 9/20 | 0.37 |
| ▸ | MMP2 | P08253 | 9/20 | 0.37 |
| ▸ | MMP9 | P14780 | 9/20 | 0.37 |
| ▸ | MMP8 | P22894 | 9/20 | 0.37 |
| ▸ | MMP13 | P45452 | 9/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL2895491 | 0.85 | CA2 (0.35) | CA2MMP1MMP2MMP9MMP8 | |
| Lithium Ion SCHEMBL31122764 | 0.82 | MMP1 (0.34) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL9097508 | 0.81 | CA2 (0.36) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL8859623 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL6347337 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL8859576 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL8859634 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL7638415 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL8859579 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 | |
| SCHEMBL7637364 | 0.80 | CA2 (0.38) | CA2MMP1MMP2MMP9MMP8 |
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-4478885-A | USING FLUOROCARBON SURFACTANT | W. R. GRACE K.K. (JP) | 1984-10-23 | — | — | US | claimed |
| EP-0115414-A2 | Treatment of resin based printing plates | W.R. Grace K.K. (JP) | 1984-08-08 | — | — | EP | claimed |
| US-4478885-A | USING FLUOROCARBON SURFACTANT | W. R. GRACE K.K. (JP) | 1984-10-23 | — | — | US | disclosed |
| EP-0115414-A2 | Treatment of resin based printing plates | W.R. Grace K.K. (JP) | 1984-08-08 | — | — | EP | disclosed |