Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.78 |
| ▸ | PTAFR | P25105 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL3239538 | 1.00 | TACR1 (0.78) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3247812 | 0.93 | TACR1 (0.68) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3243221 | 0.93 | TACR1 (0.68) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3246694 | 0.93 | TACR1 (0.67) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3243512 | 0.93 | TACR1 (0.67) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3248437 | 0.92 | TACR1 (0.68) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3240404 | 0.90 | TACR1 (0.67) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3246155 | 0.89 | TACR1 (0.64) | TACR1CYP3A4SIGMAR1PTAFR | |
| SCHEMBL3241811 | 0.89 | TACR1 (0.64) | TACR1CYP3A4SIGMAR1PTAFR | |
| Casopitant SCHEMBL19517030 | 0.88 | TACR1 (1.00) | TACR1CYP3A4SIGMAR1PTAFR |
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-1921064-B1 | Pharmaceutical composition | GLAXO GROUP LTD (GB) | 2010-05-19 | — | — | EP | claimed |
| EP-1524266-B1 | Pharmaceutical composition | GLAXO GROUP LTD (GB) | 2007-02-28 | — | — | EP | claimed |
| EP-1326832-B1 | CHEMICAL COMPOUNDS | GLAXO GROUP LTD (GB) | 2004-10-06 | — | — | EP | claimed |