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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2082622 | 0.77 | OAT (0.41) | MAPTALDH1A1GAASMN1; SMN2MT-CO2 | |
| SCHEMBL2081539 | 0.76 | MT-CO2 (0.40) | MAPTALDH1A1MT-CO2KMT2A | |
| SCHEMBL2600393 | 0.72 | CHRM3 (0.42) | MAPTALDH1A1 | |
| SCHEMBL6316758 | 0.72 | MAPT (0.48) | MAPTALDH1A1GAASMN1; SMN2RAB9A | |
| SCHEMBL31259192 | 0.70 | MAPT (0.38) | MAPTALDH1A1MT-CO2KMT2APOLB | |
| SCHEMBL9738553 | 0.68 | — | — | |
| SCHEMBL5433945 | 0.67 | TSHR (0.40) | MAPTALDH1A1 | |
| Dimethylcarbate SCHEMBL10504107 | 0.67 | MT-CO2 (0.35) | MAPTALDH1A1MT-CO2 | |
| SCHEMBL28534498 | 0.67 | HDAC2 (0.55) | ALDH1A1RAB9A | |
| SCHEMBL1374641 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4493533-A1 | BIOCATALYTIC SYNTHESIS OF (1S,3S)-3-HYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID COMPOUNDS | Bristol-Myers Squibb Company (US) | 2025-01-22 | — | — | EP | disclosed |
| CN-118871414-A | Biocatalytic synthesis of (1S, 3S) -3-hydroxycyclohexane-1-carboxylic acid compounds | 百时美施贵宝公司 | 2024-10-29 | — | — | CN | disclosed |
| WO-2023178061-A1 | BIOCATALYTIC SYNTHESIS OF (1S,3S)-3-HYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-09-21 | — | — | WO | disclosed |