Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3418714 | 0.84 | RXFP1 (0.67) | TP53MAPTRAB9ARXFP1ALDH1A1 | |
| SCHEMBL29164888 | 0.81 | TYK2 (0.42) | CYP1A2CYP3A4CYP2C19RAB9AALDH1A1 | |
| SCHEMBL706559 | 0.78 | MEN1 (0.63) | CYP1A2TP53RAB9AALDH1A1LMNA | |
| SCHEMBL754986 | 0.78 | RAB9A (0.52) | CYP3A4RAB9AGAA | |
| SCHEMBL7164124 | 0.77 | KMT2A (0.66) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL3419415 | 0.75 | CCNA2 (0.65) | TP53RAB9ARXFP1ALDH1A1KDM4E | |
| SCHEMBL29164565 | 0.75 | MEN1 (0.51) | CYP1A2RAB9AALDH1A1LMNAGAA | |
| SCHEMBL29164538 | 0.75 | TYK2 (0.57) | CYP3A4MAPTRAB9AALDH1A1 | |
| SCHEMBL9713774 | 0.75 | SMN1; SMN2 (0.50) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL3424887 | 0.74 | NPC1 (0.52) | TP53MAPTRAB9ARXFP1ALDH1A1 |
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-1320531-A2 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2003-06-25 | — | — | EP | disclosed |
| WO-2002012242-A2 | BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2002-02-14 | — | — | WO | disclosed |