Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11406391 | 0.86 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL11406388 | 0.86 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL11563815 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL27711466 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL27711468 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL19716914 | 0.77 | SMN1; SMN2 (0.51) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL3722295 | 0.76 | AKR1B1 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL6781270 | 0.75 | AKR1B1 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL11401662 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1CYP2D6CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL9033491 | 0.73 | AKR1B1 (0.67) | ALDH1A1CYP3A4CYP2D6CYP2C19SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000718-A2 | Quinazoline derivatives, process for their preparation, pharmaceutical preparations and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-02-21 | — | — | EP | disclosed |