Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706390 | 0.86 | ACE (0.44) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL24116747 | 0.69 | CYP2D6 (0.40) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL10642268 | 0.69 | TSHR (0.55) | CYP2C19APEX1ALDH1A1KDM4ETSHR | |
| SCHEMBL25497614 | 0.69 | TSHR (0.42) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL2865650 | 0.69 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL19962102 | 0.69 | CYP2D6 (0.66) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL6361223 | 0.66 | TSHR (0.50) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL43400 | 0.66 | — | — | |
| SCHEMBL6792682 | 0.64 | TSHR (0.45) | CYP2D6CYP2C19CYP2C9KMT2APOLB | |
| SCHEMBL14075358 | 0.63 | LMNA (0.39) | CYP2D6CYP2C19CYP2C9KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0184861-B1 | DERIVATIVES OF THE 3-MERCAPTO-2-OXO-1-PYRROLIDINACETIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PROTER S.p.A. (IT) | 1990-06-06 | — | — | EP | disclosed |
| EP-0184861-A1 | Derivatives of the 3-mercapto-2-oxo-1-pyrrolidinacetic acid, process for their preparation and pharmaceutical compositions containing them | PROTER S.p.A. (IT) | 1986-06-18 | — | — | EP | disclosed |