Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729278 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL12156499 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL13411394 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL9728986 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL12598334 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| Bromide SCHEMBL1770016 | 0.99 | CYP3A4 (0.36) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL1841367 | 0.84 | ALDH1A1 (0.43) | CYP3A4CYP2C19MAPK1POLBALDH1A1 | |
| SCHEMBL2988940 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL31721580 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL13411367 | 0.81 | OPRK1 (0.34) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5134143-A | Dopamine Agonists | ELI LILLY AND COMPANY (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977160-A | DOPAMINE AGONISTS; PARKINSON*S DISEASE | ELI LILLY AND COMPANY (US) | 1990-12-11 | — | — | US | disclosed |
| US-4826986-A | DOPAMINE AGONISTS | ELI LILLY AND COMPANY (US) | 1989-05-02 | — | — | US | disclosed |