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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 5/20 | 0.51 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.51 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.97 |
| ▸ | HPGD | P15428 | 2/20 | 0.97 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.97 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | CASP6 | P55212 | 2/20 | 0.58 |
| ▸ | NSD2 | O96028 | 1/20 | 0.58 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.58 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 6/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL341089 | 1.00 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL10337685 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL29376983 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL93200 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1GAACASP6 | |
| Water SCHEMBL18832246 | 0.97 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL11527723 | 0.97 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL146864 | 0.97 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| Water SCHEMBL5050373 | 0.97 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL7920625 | 0.97 | ALDH1A1 (0.97) | ALDH1A1HPGDTDP1GAACASP6 | |
| SCHEMBL7920628 | 0.88 | ALDH1A1 (0.75) | ALDH1A1HPGDTDP1GAACASP6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6602594-B2 | Mixture of a granular or powdery heat-fusible substance and a granular or powdery dyestuff that can be diffused through dispersion or dissolution; indicators; microcapsules | NICHIYU GIKEN KOGYO CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| US-20010044014-A1 | Irreversible heat-sensitive composition | NICHIYU GIKEN KOGYO CO., LTD. | 2001-11-22 | — | — | US | disclosed |
| EP-1149880-A1 | Irreversible heat-sensitive composition | Nichiyu Giken Kogyo Co., Ltd. (JP) | 2001-10-31 | — | — | EP | disclosed |