Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8781410 | 0.94 | CHRM1 (0.40) | CYP2D6CHRM1KDM4EGAAMEN1 | |
| SCHEMBL7037673 | 0.85 | CHRM1 (0.45) | CHRM1KDM4EALDH1A1 | |
| SCHEMBL7457776 | 0.85 | CYP2D6 (0.44) | CYP2D6CHRM1KDM4EGAAALDH1A1 | |
| SCHEMBL7456380 | 0.78 | CHRM1 (0.44) | CHRM1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4086184 | 0.75 | CYP2C19 (0.53) | CYP2D6ALDH1A1 | |
| SCHEMBL8582632 | 0.75 | CYP2C19 (0.53) | CYP2D6ALDH1A1 | |
| SCHEMBL7041710 | 0.69 | ALDH1A1 (0.57) | CHRM1KDM4EGAAALDH1A1MEN1 | |
| SCHEMBL5257603 | 0.68 | KMT2A (0.55) | GAAALDH1A1MEN1KMT2A | |
| SCHEMBL7108946 | 0.68 | CHRM1 (0.40) | CHRM1KDM4EGAAALDH1A1MEN1 | |
| SCHEMBL22699087 | 0.66 | KMT2A (0.61) | CHRM1KDM4EGAAALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100399-A1 | MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| EP-0782574-B1 | BICYCLIC CARBOXAMIDES AS 5-HT1A RECEPTORS LIGANDS | WYETH JOHN & BROTHER LTD (GB) | 2002-03-27 | — | — | EP | disclosed |