Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536464 | 0.86 | TAAR1 (0.45) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL8537581 | 0.84 | CYP1A2 (0.37) | TAAR1HTR1AALDH1A1MEN1KMT2A | |
| SCHEMBL8537087 | 0.82 | CSNK1A1 (0.45) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL11124417 | 0.81 | TAAR1 (0.56) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL8539251 | 0.81 | NISCH (0.40) | NISCHMTORADKTAAR1HTR1A | |
| Hydrochloric Acid SCHEMBL29265354 | 0.79 | TAAR1 (0.54) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL27764041 | 0.78 | TAAR1 (0.45) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL8540790 | 0.73 | NISCH (0.37) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL8539285 | 0.73 | TAAR1 (0.50) | NISCHMTORADKTAAR1HTR1A | |
| SCHEMBL8535625 | 0.72 | NISCH (0.49) | NISCHMTORADKALDH1A1CYP1A2 |
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-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |