Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 6/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | ALPG | P10696 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11158191 | 0.91 | CYP2C19 (0.58) | CYP2C19TDP1L3MBTL1HPGDALDH1A1 | |
| SCHEMBL44801 | 0.82 | CYP2C19 (1.00) | CYP2C19TDP1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL11162093 | 0.82 | IDO1 (0.49) | CYP2C19ALDH1A1LMNAIDO1TP53 | |
| SCHEMBL11152610 | 0.80 | TP53 (0.61) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL4133539 | 0.79 | CYP2C19 (0.72) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL4050426 | 0.79 | CYP2C19 (0.72) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL11260584 | 0.79 | CYP2C19 (0.72) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL724648 | 0.79 | CYP2C19 (0.72) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL20113451 | 0.79 | L3MBTL1 (0.53) | CYP2C19TDP1L3MBTL1IDO1NOS3 | |
| SCHEMBL5935700 | 0.79 | CYP2C19 (0.72) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0036992-B1 | USE OF S-BENZYL-3-BENZYLTHIOPROPIONTHIOATE IN PHARMACEUTICAL COMPOSITIONS | Troponwerke GmbH & Co. KG (DE) | 1982-12-22 | — | — | EP | claimed |
| EP-0036992-A1 | Use of S-benzyl-3-benzylthiopropionthioate in pharmaceutical compositions | Troponwerke GmbH & Co. KG (DE) | 1981-10-07 | — | — | EP | claimed |
| EP-0036992-B1 | USE OF S-BENZYL-3-BENZYLTHIOPROPIONTHIOATE IN PHARMACEUTICAL COMPOSITIONS | Troponwerke GmbH & Co. KG (DE) | 1982-12-22 | — | — | EP | disclosed |
| EP-0036992-B1 | USE OF S-BENZYL-3-BENZYLTHIOPROPIONTHIOATE IN PHARMACEUTICAL COMPOSITIONS | Troponwerke GmbH & Co. KG (DE) | 1982-12-22 | — | — | EP | disclosed |
| EP-0036992-A1 | Use of S-benzyl-3-benzylthiopropionthioate in pharmaceutical compositions | Troponwerke GmbH & Co. KG (DE) | 1981-10-07 | — | — | EP | disclosed |
| EP-0036992-A1 | Use of S-benzyl-3-benzylthiopropionthioate in pharmaceutical compositions | Troponwerke GmbH & Co. KG (DE) | 1981-10-07 | — | — | EP | disclosed |
| EP-0036992-A1 | Use of S-benzyl-3-benzylthiopropionthioate in pharmaceutical compositions | Troponwerke GmbH & Co. KG (DE) | 1981-10-07 | — | — | EP | disclosed |