Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL11228484 | 0.87 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL11230158 | 0.85 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL4863737 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL11229599 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL6732304 | 0.70 | IDO1 (0.42) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL10953834 | 0.68 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL10724739 | 0.68 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL11742336 | 0.67 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL11709033 | 0.67 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 | |
| SCHEMBL11353946 | 0.66 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C19CYP2C9MAPK1 |
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-4315023-A | FOR USE AS FUNGICIDES AND BACTERICIDES | WESTWOOD PHARMACEUTICALS, INC. (US) | 1982-02-09 | — | — | US | disclosed |