Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24445406 | 0.89 | CYP2D6 (0.68) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19916129 | 0.88 | CYP2D6 (0.66) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL24445444 | 0.88 | CYP2D6 (0.66) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19916125 | 0.88 | CYP2D6 (0.53) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL26194821 | 0.84 | CYP2D6 (0.69) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19916130 | 0.83 | CYP2D6 (0.59) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19916122 | 0.83 | CYP2D6 (0.59) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL24445402 | 0.82 | CYP2D6 (0.58) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19937782 | 0.82 | SMN1; SMN2 (0.62) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2HRH3 | |
| SCHEMBL26194024 | 0.80 | CYP2D6 (0.63) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018044963-A1 | BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-08 | — | — | WO | disclosed |