Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 2/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 8/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ILK | Q13418 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29718774 | 1.00 | AKT2 (0.47) | AKT2AKT1FEN1ALOX5APROCK2 | |
| SCHEMBL3478312 | 0.82 | AKT2 (0.41) | AKT2AKT1FEN1ROCK2ILK | |
| SCHEMBL31311110 | 0.80 | FEN1 (0.47) | AKT2AKT1FEN1ALOX5APROCK2 | |
| SCHEMBL29718566 | 0.76 | CA2 (0.47) | AKT2AKT1ILKCA1CA2 | |
| SCHEMBL8350056 | 0.76 | CA1 (0.54) | FEN1ALOX5APCA1CA2CA4 | |
| SCHEMBL29718638 | 0.74 | CA12 (0.43) | ILKCA1CA2CA4CA6 | |
| SCHEMBL48885 | 0.74 | CA2 (0.52) | FEN1ALOX5APCA1CA2CA4 | |
| SCHEMBL13733557 | 0.74 | ALOX5AP (0.51) | FEN1ALOX5APCA1CA2CA4 | |
| SCHEMBL1080972 | 0.73 | CA2 (0.61) | FEN1ALOX5APCA1CA2CA4 | |
| Pyrazole SCHEMBL6489696 | 0.73 | AKR1B1 (0.40) | FEN1ALOX5APCA1CA2CA4 |
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-2499146-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | Merck Serono S.A. (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |