Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9425932 | 0.98 | CYP3A4 (0.50) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| Hydrochloric Acid SCHEMBL10500949 | 0.98 | CYP3A4 (0.50) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL14523606 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL14074321 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL888683 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| Isonicotinic Acid SCHEMBL9167341 | 0.79 | NAPRT (0.68) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| Isonicotinic Acid SCHEMBL9167344 | 0.79 | NAPRT (0.68) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL1887807 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL12337833 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4MAOAMAOBPTGS2 | |
| SCHEMBL27480368 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4MAOAMAOBPTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0653421-B1 | Process for preparing 2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5552557-A | Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1996-09-03 | — | — | US | disclosed |
| EP-0507650-B1 | Piperidine derivatives, their preparation and their therapeutic application | SYNTHELABO (FR) | 1996-05-22 | — | — | EP | disclosed |
| EP-0653421-A1 | Process for preparing 2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |
| EP-0507650-A1 | Piperidine derivatives, their preparation and their therapeutic application | SYNTHELABO (FR) | 1992-10-07 | — | — | EP | disclosed |