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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8003157 | 0.84 | CYP2C19 (0.64) | ALDH1A1SMN1; SMN2PKMGLAGAA | |
| SCHEMBL7355822 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2PKMGLAGAA | |
| SCHEMBL7997853 | 0.79 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2PKMGLAGAA | |
| SCHEMBL8841048 | 0.76 | IDO1 (0.53) | ALDH1A1SMN1; SMN2PKMGAAIDO1 | |
| SCHEMBL17045908 | 0.76 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2PKMGLAGAA | |
| SCHEMBL10640045 | 0.76 | HTT (0.63) | ALDH1A1SMN1; SMN2PKMCA1CA2 | |
| SCHEMBL62037 | 0.75 | IDO1 (0.59) | ALDH1A1SMN1; SMN2CA1CA2GAA | |
| SCHEMBL530979 | 0.75 | PDE4B (0.54) | ALDH1A1SMN1; SMN2PKMGAACYP2C19 | |
| SCHEMBL17045933 | 0.74 | HDAC1 (0.59) | ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL10039350 | 0.74 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2PKMGLAGAA |
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-0013261-B1 | GUAIACOL ESTERS OF ALPHA- AND BETA-MERCAPTOPROPIONYLALANINE AND ALPHA- AND BETA-MERCAPTOPROPIONYLGLYCINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1982-12-01 | — | — | EP | disclosed |
| US-4299842-A | TREATMENT OF RESPIRATORY SYSTEM DISORDERS, NUCOLYTIC AGENTS | CAVAZZA CLAUDIO | 1981-11-10 | — | — | US | disclosed |
| EP-0013261-A1 | Guaiacol esters of alpha- and beta-mercaptopropionylalanine and alpha- and beta-mercaptopropionylglycine, process for their preparation and pharmaceutical compositions containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1980-07-09 | — | — | EP | disclosed |