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 | 3/20 | 0.53 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.53 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.69 |
| ▸ | RAB9A | P51151 | 7/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.69 |
| ▸ | POLB | P06746 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | F2 | P00734 | 3/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862685 | 1.00 | NPC1 (0.69) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL5306451 | 0.89 | ALDH1A1 (0.64) | NPC1RAB9AKMT2AMEN1MAPT | |
| Potassium Ion SCHEMBL1552311 | 0.85 | ALDH1A1 (0.64) | NPC1RAB9AKMT2AMEN1MAPT | |
| Lithium Ion SCHEMBL10626124 | 0.85 | ALDH1A1 (0.64) | NPC1RAB9AKMT2AMEN1MAPT | |
| Zinc Ion SCHEMBL2271440 | 0.85 | ALDH1A1 (0.64) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL18725593 | 0.84 | CA2 (0.58) | NPC1RAB9AMAPTMAPK1TDP1 | |
| SCHEMBL18725592 | 0.84 | CA2 (0.58) | NPC1RAB9AMAPTMAPK1TDP1 | |
| SCHEMBL23205461 | 0.81 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL12056707 | 0.81 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL12307345 | 0.81 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1MAPT |
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-4362645-A | Temperature indicating compositions of matter | AKZONA, INC. (US) | 1982-12-07 | — | — | US | disclosed |
| US-4339207-A | Temperature indicating compositions of matter | AKZONA INCORPORATED (US) | 1982-07-13 | — | — | US | disclosed |
| US-4232552-A | THERMOCHROMISM, DISPOSABLE THERMOMETERS | AKZONA INCORPORATED (US) | 1980-11-11 | — | — | US | disclosed |
| US-3973962-A | Aggregate photoconductive composition containing combination of pyrylium dye salts | EASTMAN KODAK COMPANY (US) | 1976-08-10 | — | — | US | disclosed |