Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TTK | P33981 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5314638 | 0.81 | MAP2K4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27530793 | 0.76 | LRRK2 (0.54) | CYP3A4CYP1A2CYP2D6MAPK1MAPK10 | |
| SCHEMBL5314981 | 0.75 | CYP1A2 (0.34) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8472628 | 0.75 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7492078 | 0.72 | MAP2K4 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5317261 | 0.71 | CYP1A2 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5315808 | 0.70 | CYP1A2 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6854925 | 0.70 | GAA (0.51) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1899541 | 0.70 | CYP1A2 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8329288 | 0.69 | PDE5A (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007065010-A2 | ANTI-ANGIOGENESIS COMPOUNDS | HIF BIO, INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| EP-0934311-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016507-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |