Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 7/20 | 0.42 |
| ▸ | QPCT | Q16769 | 3/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL10779832 | 0.96 | TBXAS1 (0.46) | TBXAS1QPCTPRKCICYP19A1GAA | |
| SCHEMBL10779997 | 0.96 | TBXAS1 (0.46) | TBXAS1QPCTPRKCICYP19A1GAA | |
| SCHEMBL10780000 | 0.96 | TBXAS1 (0.46) | TBXAS1QPCTPRKCICYP19A1GAA | |
| SCHEMBL10786079 | 0.96 | TBXAS1 (0.46) | TBXAS1QPCTPRKCICYP19A1GAA | |
| SCHEMBL10785571 | 0.95 | TBXAS1 (0.45) | TBXAS1QPCTPRKCICYP19A1GAA | |
| SCHEMBL10780579 | 0.93 | TBXAS1 (0.42) | TBXAS1QPCTCYP19A1GAALMNA | |
| SCHEMBL10782630 | 0.92 | TBXAS1 (0.43) | TBXAS1QPCTPRKCIGAAALDH1A1 | |
| SCHEMBL10785681 | 0.91 | TBXAS1 (0.49) | TBXAS1QPCTPRKCIGAASMN1; SMN2 | |
| SCHEMBL11041743 | 0.91 | TBXAS1 (0.49) | TBXAS1QPCTPRKCIGAASMN1; SMN2 | |
| SCHEMBL10780036 | 0.91 | TBXAS1 (0.49) | TBXAS1QPCTPRKCIGAASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0111384-B1 | THIOKETAL SUBSTITUTED N-ALKYL IMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SYNTEX (U.S.A.) INC. (US) | 1987-04-22 | — | — | EP | disclosed |
| US-4489087-A | Spermicidal thioketal substituted N-alkyl imidazoles | SYNTEX (U.S.A.) INC. (US) | 1984-12-18 | — | — | US | disclosed |
| EP-0111384-A1 | Thioketal substituted N-alkyl imidazoles and pharmaceutical compositions containing them | SYNTEX (U.S.A.) INC. (US) | 1984-06-20 | — | — | EP | disclosed |