Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 4/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431176 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL8910863 | 0.79 | CYP1A2 (0.56) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL7270335 | 0.77 | CYP1A2 (0.57) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL7270339 | 0.77 | CYP1A2 (0.57) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL1654642 | 0.76 | CYP1A2 (1.00) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL9800592 | 0.75 | CYP1A2 (0.54) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL4956073 | 0.75 | CYP1A2 (0.50) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| Hydrochloric Acid SCHEMBL6899318 | 0.74 | CYP1A2 (0.96) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL7079429 | 0.74 | CYP1A2 (0.48) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 | |
| SCHEMBL9068773 | 0.74 | CYP1A2 (0.53) | CYP3A4CYP1A2CYP2D6PRMT1IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |