Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | SMO | Q99835 | 14/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6286992 | 0.87 | PTPN11 (0.50) | KDM4ETP53ALDH1A1 | |
| SCHEMBL7137826 | 0.85 | TACR1 (0.47) | TACR1SMOL3MBTL1ALDH1A1 | |
| SCHEMBL905364 | 0.85 | TACR1 (0.57) | TACR1SMOCYP3A4L3MBTL1ALDH1A1 | |
| SCHEMBL905379 | 0.84 | CYP1A2 (0.54) | TACR1TYK2KDM4EALDH1A1 | |
| SCHEMBL905377 | 0.84 | TACR1 (0.45) | TACR1SMOL3MBTL1 | |
| SCHEMBL4673547 | 0.81 | TACR1 (0.44) | TACR1SMOCYP3A4 | |
| SCHEMBL4673546 | 0.81 | SMO (0.42) | TACR1SMOCYP3A4TYK2 | |
| SCHEMBL905365 | 0.80 | TACR1 (0.49) | TACR1SMOL3MBTL1 | |
| SCHEMBL5759722 | 0.79 | TACR1 (0.55) | TACR1SMOCYP3A4 | |
| SCHEMBL905329 | 0.78 | CKS1B (0.48) | TACR1SMO |
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-1303490-B1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | disclosed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | disclosed |