Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 8/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2626828 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP17A1CYP19A1IDO1HRH4 | |
| SCHEMBL2874847 | 0.77 | CYP19A1 (0.42) | CYP3A4CYP17A1CYP19A1IDO1HRH4 | |
| SCHEMBL151981 | 0.68 | TSHR (0.65) | CYP3A4TAAR1TSHR | |
| Trifluoroacetic Acid SCHEMBL2103901 | 0.67 | CYP17A1 (0.45) | CYP3A4CYP17A1CYP19A1HRH4HRH3 | |
| Ammonia Solution, Strong SCHEMBL31241190 | 0.66 | TSHR (0.61) | CYP3A4TAAR1TSHR | |
| Hydrochloric Acid SCHEMBL15864874 | 0.66 | TSHR (0.61) | CYP3A4TAAR1TSHR | |
| SCHEMBL11670749 | 0.66 | TSHR (0.61) | CYP3A4TAAR1TSHR | |
| SCHEMBL28193891 | 0.66 | TSHR (0.61) | CYP3A4TAAR1TSHR | |
| SCHEMBL2820745 | 0.63 | — | — | |
| SCHEMBL11724522 | 0.62 | TSHR (0.55) | CYP3A4CYP17A1CYP19A1TAAR1TSHR |
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-1625459-A2 | CRYSTAL STRUCTURE OF ANGIOTENSIN-CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE | MILLENIUM PHARMACEUTICALS, INC. (US) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004023270-A2 | CRYSTAL STRUCTURE OF ANGIOTENSIN-CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE | MILLENIUM PHARMACEUTICALS, INC. (US) | 2004-03-18 | — | — | WO | disclosed |