Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17626124 | 0.72 | MEN1 (0.53) | CYP3A4MAPTLMNAENPP2MKNK1 | |
| SCHEMBL27639568 | 0.67 | CYP3A4 (0.39) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL31241182 | 0.66 | MAPT (0.61) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL28581728 | 0.66 | MAPT (0.61) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL11919182 | 0.66 | HRH4 (0.39) | CYP3A4LOXL2MAPTLMNAHRH4 | |
| SCHEMBL9481151 | 0.65 | NOTUM (0.36) | NOTUM | |
| SCHEMBL6597600 | 0.65 | CYP3A4 (0.39) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL18429869 | 0.65 | CYP3A4 (0.42) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL29131511 | 0.65 | CYP3A4 (0.38) | CYP3A4LOXL2MAPTLMNAENPP2 | |
| SCHEMBL7245610 | 0.65 | ALDH1A1 (0.46) | MAPTLMNANOTUMMEN1KMT2A |
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-0172029-B1 | 1,4-DIHYDROPYRIDINES | JOHN WYETH & BROTHER LIMITED (GB) | 1991-02-27 | — | — | EP | disclosed |