Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | RAB9A | P51151 | 7/20 | 0.67 |
| ▸ | NPC1 | O15118 | 6/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | GLA | P06280 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8267173 | 0.85 | NPC1 (0.90) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL8266861 | 0.84 | NPC1 (0.77) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL10192186 | 0.80 | NPC1 (1.00) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL8267163 | 0.80 | SMN1; SMN2 (0.88) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL8267156 | 0.80 | SMN1; SMN2 (0.72) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL15886298 | 0.80 | RAB9A (0.67) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL24025350 | 0.79 | NPC1 (0.70) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL8267152 | 0.79 | NPC1 (0.79) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL13321363 | 0.79 | RAB9A (0.79) | ALDH1A1RAB9ANPC1TP53GLA | |
| SCHEMBL8266868 | 0.77 | RAB9A (0.77) | ALDH1A1RAB9ANPC1TP53GLA |
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-1899329-B1 | PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2011-10-05 | — | — | EP | disclosed |