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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.53 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.51 |
| ▸ | ACR | P10323 | 3/20 | 0.56 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.54 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | FBP1 | P09467 | 1/20 | 0.49 |
| ▸ | PLG | P00747 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1940362 | 0.90 | CA1 (0.61) | CA1CA2STSCA12CA9 | |
| SCHEMBL7182997 | 0.87 | PRSS1 (0.54) | ACRPRSS1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL9726291 | 0.85 | ACR (0.61) | ACRHGFACCA1CA2STS | |
| SCHEMBL7518320 | 0.84 | CA1 (0.72) | ACRHGFACCA1CA2STS | |
| SCHEMBL130184 | 0.83 | PARP10 (0.57) | KMT2AMAPTALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9726273 | 0.83 | STS (0.56) | ACRCA1CA2STSPRSS1 | |
| SCHEMBL9726300 | 0.81 | STS (0.58) | ACRSTSPRSS1KMT2AMAPT | |
| SCHEMBL9732667 | 0.80 | STS (0.59) | STSKMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL21189884 | 0.79 | CA1 (0.64) | ACRHGFACCA1CA2STS | |
| SCHEMBL13038154 | 0.79 | CA1 (0.84) | ACRHGFACCA1CA2PRSS1 |
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-5078907-A | UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0426217-A2 | Bleach precursors | UNILEVER N.V. (NL) | 1991-05-08 | — | — | EP | disclosed |