Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 16/20 | 0.56 |
| ▸ | JAK2 | O60674 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 3/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL24172739 | 0.97 | CYP3A4 (0.58) | CYP3A4ROCK2JAK2GSK3BNOS1 | |
| SCHEMBL2798618 | 0.87 | CDC7 (0.59) | CYP3A4ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL22412381 | 0.85 | CDC7 (0.58) | CYP3A4ROCK2ROCK1 | |
| SCHEMBL5412781 | 0.85 | PLK4 (0.56) | CYP3A4ROCK2 | |
| SCHEMBL30469212 | 0.85 | TERT (0.53) | CYP3A4ROCK2NOS1METAP2KDM4E | |
| SCHEMBL5823182 | 0.83 | CYP3A4 (0.55) | CYP3A4ROCK2JAK2GSK3BKDM4E | |
| SCHEMBL30385421 | 0.83 | NOS1 (0.49) | CYP3A4ROCK2NOS1METAP2KDM4E | |
| SCHEMBL29039315 | 0.83 | NOS1 (0.49) | CYP3A4ROCK2NOS1METAP2KDM4E | |
| SCHEMBL2230739 | 0.82 | ROCK2 (0.46) | CYP3A4ROCK2JAK2GSK3BROCK1 | |
| SCHEMBL24421947 | 0.82 | CYP3A4 (0.57) | CYP3A4ROCK2JAK2GSK3BROCK1 |
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-2892892-A1 | IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER | Janssen Pharmaceutica N.V. (BE) | 2015-07-15 | — | — | EP | disclosed |
| WO-2014039769-A1 | IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-13 | — | — | WO | disclosed |