Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.30 |
| ▸ | GLS | O94925 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL10584747 | 0.84 | CYP2C19 (0.44) | CYP2C19ALOX5KMT2AALDH1A1CES2 | |
| SCHEMBL7556536 | 0.79 | CYP2C19 (0.57) | CYP2C19ALOX5KMT2AALDH1A1CES2 | |
| SCHEMBL2988962 | 0.78 | CYP2C19 (0.34) | CYP2C19ALOX5KMT2AALDH1A1CES2 | |
| SCHEMBL9379212 | 0.75 | CYP2C19 (0.46) | CYP2C19ALOX5KMT2AALDH1A1CES2 | |
| SCHEMBL13458780 | 0.74 | RAB9A (0.43) | CYP2C19ALOX5KMT2AALDH1A1PKM | |
| SCHEMBL15184691 | 0.74 | RAB9A (0.43) | CYP2C19ALOX5KMT2AALDH1A1PKM | |
| SCHEMBL29198054 | 0.74 | CYP2C19 (0.41) | CYP2C19ALOX5KMT2AALDH1A1CES2 | |
| SCHEMBL2405634 | 0.74 | CYP2C19 (0.47) | CYP2C19KMT2AALDH1A1CES2CES1 | |
| SCHEMBL29198046 | 0.73 | MME (0.40) | CYP2C19ALOX5KMT2AALDH1A1KEAP1 | |
| SCHEMBL8551641 | 0.70 | ALOX5 (0.43) | ALOX5KMT2AALDH1A1PKMCES2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002020366-A | METHOD FOR PRODUCING ALKYLTHIOPHENYLACETIC ACID | SUMITOMO SEIKA CHEM CO LTD | 2002-01-23 | — | — | JP | disclosed |