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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328392 | 0.71 | ALDH1A1 (0.37) | ALDH1A1HPGDHIF1ACA5ACA5B | |
| SCHEMBL18081010 | 0.69 | ALDH1A1 (0.35) | ALDH1A1HPGDHIF1ACA5ACA5B | |
| SCHEMBL5404644 | 0.69 | ALDH1A1 (0.38) | ALDH1A1HPGDHIF1ACA4CA5A | |
| Cadaverine Tartrate SCHEMBL20642857 | 0.67 | CA4 (0.42) | HIF1ACA4CA5ACA5BFAHD1 | |
| SCHEMBL10716872 | 0.65 | — | — | |
| SCHEMBL3708053 | 0.65 | CA4 (0.45) | CA4FAHD1CA1CYP3A4TSHR | |
| Bicarbonate SCHEMBL11732387 | 0.65 | CA4 (0.54) | HIF1ACA4CA5ACA5BFAHD1 | |
| Bicarbonate SCHEMBL11755316 | 0.65 | MEN1 (0.46) | HIF1ACA4CA5ACA5BFAHD1 | |
| Bicarbonate SCHEMBL11218040 | 0.65 | MEN1 (0.46) | HIF1ACA4CA5ACA5BFAHD1 | |
| Bicarbonate SCHEMBL11218041 | 0.65 | MEN1 (0.46) | HIF1ACA4CA5ACA5BFAHD1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119118999-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-118955477-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-118903141-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-118903142-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-113227074-B | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-08-16 | — | — | CN | disclosed |
| CN-118388457-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-07-26 | — | — | CN | disclosed |
| CN-118290403-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof | 凌科药业(杭州)有限公司 | 2024-07-05 | — | — | CN | disclosed |