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 | 6/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.44 |
| ▸ | CA12 known ✓ | O43570 | 5/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NT5E | P21589 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | AGO2 | Q9UKV8 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6247382 | 0.76 | TSHR (0.52) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| SCHEMBL3936738 | 0.76 | CA2 (0.48) | TSHRALDH1A1LMNACYP3A4CYP2C9 | |
| Aminobenzoic Acid SCHEMBL10423062 | 0.72 | CA1 (0.53) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| Aminobenzoic Acid SCHEMBL10423065 | 0.72 | CA1 (0.53) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| Aminobenzoic Acid SCHEMBL10423063 | 0.72 | CA1 (0.53) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| SCHEMBL646075 | 0.70 | TSHR (0.62) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| SCHEMBL7766922 | 0.70 | TSHR (0.62) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| SCHEMBL28999750 | 0.70 | TSHR (0.62) | TSHRALDH1A1NT5ELMNACYP3A4 | |
| Aminobenzoic Acid SCHEMBL587865 | 0.69 | CA2 (0.61) | CA1CA2TDP1CA4 | |
| SCHEMBL30460591 | 0.69 | TSHR (0.59) | TSHRALDH1A1NT5ELMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-10330642-A | — | — | None | — | — | JP | disclosed |
| JP-62000556-A | — | — | None | — | — | JP | disclosed |
| JP-H10330642-A | TRIAZINYLAMINOSTILBENE COMPOUND | CIBA SPECIALTY CHEM HOLDING INC | 1998-12-15 | — | — | JP | disclosed |
| JP-S62556-A | PRODUCTION OF FLUORESCENT BRIGHTENER | MITSUI TOATSU CHEM INC | 1987-01-06 | — | — | JP | disclosed |