Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL561714 | 0.76 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17136102 | 0.72 | HDAC6 (0.57) | — | |
| SCHEMBL561358 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KMT2AMAPK14NPY5RPDE4D | |
| SCHEMBL2727042 | 0.72 | SMN1; SMN2 (0.50) | ALDH1A1KMT2ANPY5R | |
| SCHEMBL31133474 | 0.71 | POLB (0.46) | ALDH1A1KMT2AMAPK14NPY5RPDE4D | |
| SCHEMBL38658970 | 0.71 | ADORA2A (0.43) | ALDH1A1KMT2ANPY5RMEN1MAOA | |
| SCHEMBL23808915 | 0.70 | KMT2A (0.63) | ALDH1A1KMT2AMEN1MAOAMAOB | |
| SCHEMBL20302477 | 0.70 | P2RX7 (0.56) | ALDH1A1KMT2ANPY5R | |
| SCHEMBL28183890 | 0.69 | PIM1 (0.47) | ALDH1A1KMT2ANPY5RPDE4D | |
| SCHEMBL24059154 | 0.69 | — | — |
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-2421834-A1 | PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS | Glaxo Group Limited (GB) | 2012-02-29 | — | — | EP | claimed |
| EP-2421834-A1 | PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS | Glaxo Group Limited (GB) | 2012-02-29 | — | — | EP | disclosed |