Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.42 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9951964 | 0.82 | STIM1 (0.41) | ITKNPC1CASP3RAB9ASENP8 | |
| SCHEMBL9952459 | 0.73 | NOTUM (0.45) | ITKNPC1CASP3RAB9ASENP8 | |
| SCHEMBL9953228 | 0.71 | NPC1 (0.39) | ITKNPC1CASP3RAB9ASENP8 | |
| SCHEMBL9952540 | 0.70 | KDM4E (0.45) | NPC1CASP3RAB9ASENP8SENP7 | |
| SCHEMBL1597216 | 0.70 | CHEK1 (0.51) | ITKNPC1CASP3RAB9ASENP8 | |
| SCHEMBL1597212 | 0.70 | CHEK1 (0.51) | ITKNPC1CASP3RAB9ASENP8 | |
| SCHEMBL10208055 | 0.65 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4E | |
| SCHEMBL31357524 | 0.65 | MAP2K4 (0.60) | ITKNPC1RAB9AMAP2K4MAPK1 | |
| SCHEMBL5822772 | 0.65 | MAP2K4 (0.60) | ITKNPC1RAB9AMAP2K4MAPK1 | |
| SCHEMBL2858040 | 0.64 | CDK4 (0.60) | NPC1RAB9AMAP2K4MAPK1MAPKAPK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655357-B1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO SA (CH) | 2016-06-22 | — | — | EP | disclosed |