Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.55 |
| ▸ | NEK1 | Q96PY6 | 3/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | CIT | O14578 | 3/20 | 0.43 |
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10125534 | 0.83 | NUDT1 (0.55) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL10125127 | 0.82 | NUDT1 (0.57) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL10125193 | 0.81 | PANK3 (0.56) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL1717982 | 0.80 | NUDT1 (0.62) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL10125568 | 0.76 | NUDT1 (0.59) | CYP2C19CYP1A2NUDT1ROCK1CIT | |
| SCHEMBL10125174 | 0.76 | NUDT1 (0.49) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL16380671 | 0.74 | NUDT1 (0.55) | NUDT1NEK1ROCK1CITAKT1 | |
| SCHEMBL14494675 | 0.74 | AKT1 (0.45) | NUDT1ROCK1CITAKT1 | |
| SCHEMBL10125210 | 0.73 | NUDT1 (0.57) | NUDT1NEK1ROCK1CITIKBKB | |
| SCHEMBL10125212 | 0.73 | NUDT1 (0.57) | HPGDNUDT1ROCK1CITMAPT |
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-1881983-B1 | PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE | VERTEX PHARMA (US) | 2012-01-11 | — | — | EP | disclosed |