Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11158194 | 0.90 | LMNA (0.58) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL28378573 | 0.82 | CA12 (0.55) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL28404831 | 0.80 | EPHX2 (0.55) | CA12CA1CA2CA9HDAC3 | |
| SCHEMBL22652479 | 0.80 | CA12 (0.57) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL28446520 | 0.79 | CYP2C19 (0.55) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL7769269 | 0.78 | HDAC1 (0.57) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL7247766 | 0.77 | HDAC1 (0.61) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL3461371 | 0.74 | CA12 (0.65) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL161188 | 0.74 | CA12 (0.65) | CA12CA1CA2CA9HDAC1 | |
| SCHEMBL11616178 | 0.74 | HDAC1 (0.61) | HDAC1HDAC3HDAC2HDAC8HDAC6 |
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 |