Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1236226 | 0.90 | CYP2D6 (0.47) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL9089506 | 0.90 | CYP2D6 (0.47) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL16302745 | 0.88 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL14525778 | 0.88 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2ACECYP3A4 | |
| SCHEMBL9574275 | 0.86 | CYP2C19 (0.48) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL31478099 | 0.86 | CYP2C19 (0.48) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL14565230 | 0.85 | CYP2D6 (0.47) | CYP2D6CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL5179571 | 0.85 | CYP2C19 (0.53) | CYP2D6CYP2C19CYP1A2ACEMEN1 | |
| SCHEMBL13208845 | 0.83 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2IDO1NOS3 | |
| SCHEMBL10725573 | 0.83 | ACE (0.48) | CYP2D6CYP2C19CYP1A2IDO1NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4036970-A | ANTIPROTOZOA, FUNGISTATS, BACTERISTATS | SYNTEX (U.S.A.) INC. (US) | 1977-07-19 | — | — | US | disclosed |