Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL238978 | 0.74 | — | — | |
| SCHEMBL1358657 | 0.69 | ALDH1A1 (0.34) | ALDH1A1RAB9A | |
| SCHEMBL1238429 | 0.69 | GSTP1 (0.44) | TP53ALDH1A1GSTP1 | |
| SCHEMBL9596829 | 0.68 | ALDH1A1 (0.33) | ALDH1A1RAB9A | |
| SCHEMBL1235894 | 0.68 | GSTP1 (0.43) | TP53GSTP1 | |
| SCHEMBL14688938 | 0.67 | — | — | |
| SCHEMBL1237582 | 0.67 | ACHE (0.43) | GSTP1 | |
| SCHEMBL11336110 | 0.67 | GSTP1 (0.36) | TP53ALDH1A1GSTP1 | |
| SCHEMBL20819085 | 0.67 | ACHE (0.43) | GSTP1 | |
| SCHEMBL3296296 | 0.65 | ALDH1A1 (0.43) | ALDH1A1RAB9A |
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-2440204-A1 | NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS | Bristol-Myers Squibb Company (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144647-A1 | NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-12-16 | — | — | WO | disclosed |