Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GALR1 | P47211 | 1/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3062520 | 0.86 | KDM4E (0.70) | ALDH1A1KDM4E | |
| SCHEMBL3507805 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EJMJD6PKN1PKN2 | |
| SCHEMBL3894639 | 0.85 | KDM4E (0.73) | ALDH1A1KDM4EPKN1PKN2 | |
| SCHEMBL29617015 | 0.81 | TP53 (0.62) | ALDH1A1TP53POLBHPGDNPC1 | |
| SCHEMBL12647965 | 0.80 | NISCH (0.53) | ALDH1A1KDM4ESYKPKN2 | |
| SCHEMBL4193217 | 0.79 | TP53 (0.61) | TP53POLBHPGDGALR1 | |
| SCHEMBL22360002 | 0.79 | CYP4F2 (0.53) | ALDH1A1HPGDJMJD6NPC1MAPT | |
| SCHEMBL29978844 | 0.79 | NPC1 (0.58) | ALDH1A1TP53POLBHPGDJMJD6 | |
| SCHEMBL2388712 | 0.79 | NPC1 (0.58) | ALDH1A1TP53POLBHPGDJMJD6 | |
| SCHEMBL8537268 | 0.79 | SYK (0.51) | ALDH1A1KDM4ESYKMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2083816-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008057775-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |