Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL6563747 | 0.78 | CA12 (0.51) | GRM5GFERCA12CA1CA2 | |
| SCHEMBL3696839 | 0.76 | NPSR1 (0.55) | NPSR1ALDH1A1HSP90AA1MAPTHTT | |
| SCHEMBL16984655 | 0.70 | CYP1A2 (0.41) | RAB9ACYP1A2CYP2D6CYP2C19THPO | |
| SCHEMBL97068 | 0.69 | — | — | |
| SCHEMBL16367840 | 0.68 | PRSS1 (0.38) | ALDH1A1MAPTHTTSMN1; SMN2MITF | |
| SCHEMBL24506081 | 0.67 | HAO1 (0.41) | MAPTHTTMEN1KMT2ALMNA | |
| SCHEMBL6574954 | 0.66 | APP (0.52) | ALDH1A1MAPTHTTRAB9ATHPO | |
| SCHEMBL16803398 | 0.66 | NPSR1 (0.44) | NPSR1ALDH1A1HSP90AA1MAPTHTT | |
| SCHEMBL29532463 | 0.66 | PARP1 (0.59) | MAPTCYP2C19MEN1KMT2AGRM5 | |
| SCHEMBL1259478 | 0.66 | PARP1 (0.59) | MAPTCYP2C19MEN1KMT2AGRM5 |
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 |