Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.57 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672424 | 0.90 | TACR1 (0.61) | TACR1SGMS1SGMS2 | |
| SCHEMBL4729153 | 0.87 | TACR1 (0.64) | TACR1 | |
| SCHEMBL4726864 | 0.86 | TACR1 (0.65) | TACR1 | |
| SCHEMBL4729266 | 0.84 | TACR1 (0.61) | TACR1 | |
| Water SCHEMBL4726783 | 0.83 | TACR1 (0.60) | TACR1 | |
| SCHEMBL4673046 | 0.82 | TACR1 (0.56) | TACR1 | |
| SCHEMBL4672660 | 0.82 | TACR1 (0.58) | TACR1 | |
| SCHEMBL4670072 | 0.81 | TACR1 (0.56) | TACR1 | |
| SCHEMBL4675798 | 0.81 | TACR1 (0.54) | TACR1 | |
| SCHEMBL905332 | 0.77 | TACR1 (0.78) | TACR1SGMS1SGMS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303490-B1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | claimed |