Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.53 |
| ▸ | SYK | P43405 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | CFD | P00746 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | BIRC2 | Q13490 | 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 | |
|---|---|---|---|---|
| SCHEMBL23015666 | 0.87 | NR3C2 (0.61) | NR3C2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3111821 | 0.86 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4SYK | |
| SCHEMBL7895323 | 0.84 | MAPK8 (0.59) | NR3C2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6361201 | 0.83 | CHRNB2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4SYK | |
| SCHEMBL9413728 | 0.81 | MEN1 (0.55) | NR3C2SMN1; SMN2RAB9AXIAPBIRC2 | |
| SCHEMBL91504 | 0.80 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4SYK | |
| SCHEMBL11524453 | 0.80 | CHRNB2 (0.45) | NR3C2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4171284 | 0.80 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4SYK | |
| SCHEMBL10083508 | 0.80 | CHRNB2 (0.51) | NR3C2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL10082485 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4SYK |
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-1957485-A2 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | Bayer Healthcare, LLC (US) | 2008-08-20 | — | — | EP | claimed |
| WO-2007064931-A2 | SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER HEALTHCARE LLC (US) | 2007-06-07 | — | — | WO | claimed |