Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 17/20 | 0.48 |
| ▸ | TDO2 | P48775 | 9/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16730871 | 0.85 | PIM1 (0.55) | IDO1TDO2 | |
| SCHEMBL16964986 | 0.80 | RIPK1 (0.48) | — | |
| SCHEMBL20162457 | 0.76 | IDO1 (0.42) | IDO1CYP11B2CYP3A4CYP2D6CYP2B6 | |
| SCHEMBL17093004 | 0.75 | RIPK1 (0.51) | — | |
| SCHEMBL20169607 | 0.71 | TMEM97 (0.47) | — | |
| SCHEMBL22165570 | 0.70 | RIPK1 (0.47) | — | |
| SCHEMBL20211377 | 0.69 | ALDH1A1 (0.35) | IDO1TDO2 | |
| SCHEMBL6310168 | 0.69 | HSP90AA1 (0.61) | — | |
| SCHEMBL2330771 | 0.69 | PPID (0.52) | — | |
| SCHEMBL20170466 | 0.69 | IDO1 (0.38) | IDO1TDO2CYP11B2CYP3A4 |
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-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | claimed |