Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10584747 | 0.85 | CYP2C19 (0.44) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL3309882 | 0.85 | CYP2C19 (0.47) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL2405634 | 0.84 | CYP2C19 (0.47) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL29198054 | 0.81 | CYP2C19 (0.41) | CYP2C19CES2CES1KEAP1ALOX5 | |
| SCHEMBL29198046 | 0.80 | MME (0.40) | CYP2C19KEAP1ALOX5MEN1ALDH1A1 | |
| SCHEMBL4215659 | 0.79 | GLS (0.48) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL7556334 | 0.79 | CYP2C19 (0.37) | CYP2C19CES2CES1KEAP1ALOX5 | |
| SCHEMBL27276875 | 0.78 | GRIK1 (0.47) | CYP2C19POLBMEN1ALDH1A1KMT2A | |
| SCHEMBL2071309 | 0.77 | CYP2C19 (0.46) | CYP2C19POLBCES2CES1KEAP1 | |
| SCHEMBL30688429 | 0.77 | POLB (0.49) | CYP2C19POLBCES2CES1KEAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002020366-A | METHOD FOR PRODUCING ALKYLTHIOPHENYLACETIC ACID | SUMITOMO SEIKA CHEM CO LTD | 2002-01-23 | — | — | JP | disclosed |
| US-3969401-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC | WILLIAM H. RORER, INC. (US) | 1976-07-13 | — | — | US | disclosed |