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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23533387 | 0.98 | ALOX5 (0.41) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL9820920 | 0.82 | MEN1 (0.40) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL9820904 | 0.82 | MEN1 (0.40) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL23533383 | 0.81 | PKM (0.53) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL23533380 | 0.81 | PKM (0.53) | MEN1HTTKMT2ATP53PKM | |
| SCHEMBL8774065 | 0.81 | ALOX5 (0.46) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL1882459 | 0.81 | ALOX5 (0.50) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL8774017 | 0.81 | ALOX5 (0.50) | ALOX5MEN1HTTKMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8774075 | 0.79 | ALOX5 (0.49) | ALOX5MEN1HTTKMT2ATP53 | |
| SCHEMBL8774187 | 0.79 | ALOX5 (0.47) | ALOX5MEN1HTTKMT2ATP53 |
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-114828958-A | Cycloalkyl-containing carboxylic acids and use thereof | 里米诺生物科学有限公司 | 2022-07-29 | — | — | CN | disclosed |