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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.30 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL956921 | 0.80 | EGLN3 (0.46) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL1179084 | 0.78 | FOLH1 (0.39) | FOLH1CYP19A1CYP1A1DPP4 | |
| SCHEMBL10065548 | 0.74 | TSHR (0.41) | FOLH1CYP19A1CYP1A1 | |
| SCHEMBL11361006 | 0.73 | CYP19A1 (0.48) | FOLH1CYP19A1CYP1A1DPP4 | |
| SCHEMBL10065555 | 0.72 | FOLH1 (0.37) | FOLH1CYP19A1CYP1A1PADI4 | |
| SCHEMBL28821067 | 0.70 | CYP19A1 (0.54) | CYP19A1CYP1A1 | |
| SCHEMBL5535357 | 0.70 | TBXAS1 (0.51) | FOLH1 | |
| SCHEMBL5535802 | 0.70 | TBXAS1 (0.51) | FOLH1 | |
| SCHEMBL5536313 | 0.70 | TBXAS1 (0.51) | FOLH1 | |
| SCHEMBL5538968 | 0.70 | TBXAS1 (0.51) | FOLH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117304130-A | MCL-1 inhibitors | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-112118845-B | MCL-1 inhibitors | 吉利德科学公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-112118845-A | MCL-1 inhibitors | 吉利德科学公司 | 2020-12-22 | — | — | CN | disclosed |