Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28264042 | 1.00 | RAB9A (0.52) | RAB9ANPC1MCHR1TSHRSMN1; SMN2 | |
| SCHEMBL4970792 | 0.92 | MCHR1 (0.55) | RAB9ANPC1MCHR1GRM5 | |
| SCHEMBL417131 | 0.84 | SMYD3 (0.55) | MCHR1 | |
| SCHEMBL27124836 | 0.84 | MCHR1 (0.50) | RAB9ANPC1MCHR1 | |
| SCHEMBL31737693 | 0.79 | UTS2R (0.46) | MCHR1 | |
| SCHEMBL10211594 | 0.78 | PRKDC (0.45) | RAB9ANPC1MCHR1TSHRSMN1; SMN2 | |
| SCHEMBL19445899 | 0.75 | NPC1 (0.56) | RAB9ANPC1TSHRSMN1; SMN2S1PR1 | |
| SCHEMBL20451349 | 0.74 | GAA (0.64) | RAB9ANPC1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL22449377 | 0.74 | GRM5 (0.80) | KMT2AALDH1A1GRM5CYP1A2 | |
| SCHEMBL2590689 | 0.74 | GRM5 (0.80) | KMT2AALDH1A1GRM5CYP1A2 |
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-2556066-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011124580-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-13 | — | — | WO | disclosed |