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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.49 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ATIC | P31939 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.43 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.38 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.38 |
| ▸ | SENP3 | Q9H4L4 | 1/20 | 0.38 |
| ▸ | CD40 | P25942 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29420733 | 0.87 | THRB (0.55) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL13875770 | 0.78 | ALDH1A1 (0.47) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL16566668 | 0.76 | THRB (0.55) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL29540025 | 0.76 | THRB (0.55) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL29482552 | 0.71 | ALDH1A1 (0.78) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL14356614 | 0.69 | RAD1 (0.51) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL29568770 | 0.68 | THRB (0.86) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL29617556 | 0.68 | ALDH1A1 (0.69) | THRBALDH1A1HIF1ACYP3A4ALOX15 | |
| SCHEMBL17804082 | 0.67 | CYP1A2 (0.76) | THRBALDH1A1HIF1AHSD17B10TDP1 | |
| SCHEMBL30341067 | 0.67 | THRB (0.85) | THRBALDH1A1HIF1ACYP3A4ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118580721-A | Aqueous ink composition for writing instrument | 三菱铅笔株式会社 | 2024-09-03 | — | — | CN | disclosed |