Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.31 |
| ▸ | PIK3C2B | O00750 | 2/20 | 0.31 |
| ▸ | MTOR | P42345 | 2/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | GSR | P00390 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9051329 | 0.83 | ALDH1A1 (0.35) | ALDH1A1KDM4ENPC1LMNAHTT | |
| SCHEMBL9051858 | 0.81 | CDK1 (0.33) | PIK3CDPIK3C2BMTORPIK3CGGSR | |
| SCHEMBL9051738 | 0.78 | ALDH1A1 (0.36) | ALDH1A1KDM4ENPC1LMNAHTT | |
| SCHEMBL2315615 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1KDM4ENPC1LMNAHTT | |
| SCHEMBL9051482 | 0.77 | ADORA2A (0.31) | — | |
| SCHEMBL1799378 | 0.70 | — | — | |
| SCHEMBL21032673 | 0.67 | SMN1; SMN2 (0.40) | ALDH1A1KDM4ENPC1LMNAHTT | |
| SCHEMBL1801014 | 0.66 | GAA (0.37) | — | |
| SCHEMBL28052581 | 0.66 | RECQL (0.40) | ALDH1A1KDM4ENPC1LMNAHTT | |
| SCHEMBL28892524 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996034591-A1 | DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION | L'OREAL (FR) | 1996-11-07 | — | — | WO | claimed |