Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.41 |
| ▸ | BRAF | P15056 | 4/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878169 | 0.80 | PDE5A (0.49) | PDE5ATRPA1 | |
| SCHEMBL6862234 | 0.79 | RXFP1 (0.49) | PIK3CDTP53SMN1; SMN2RXFP1KMT2A | |
| SCHEMBL6866133 | 0.78 | TP53 (0.48) | PIK3CDTP53SMN1; SMN2RXFP1KMT2A | |
| SCHEMBL6869424 | 0.78 | TACR1 (0.59) | TACR1KMT2AHTR3A | |
| Methylpiperazine SCHEMBL6872306 | 0.76 | PDE5A (0.46) | PDE5ATRPA1 | |
| SCHEMBL4125912 | 0.71 | ALDH1A1 (0.52) | TACR1TP53KCNK2SCN2AKMT2A | |
| SCHEMBL7558999 | 0.71 | TACR1 (0.56) | TACR1TP53KMT2A | |
| SCHEMBL4062410 | 0.70 | CALCA (0.56) | PIK3CDTP53 | |
| SCHEMBL6862126 | 0.68 | HRH4 (0.49) | TACR1KMT2AHTR3A | |
| SCHEMBL6865981 | 0.67 | CYP1A2 (0.49) | TACR1PIK3CD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |