Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | AXL | P30530 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17559224 | 0.98 | IDO1 (0.46) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| SCHEMBL29354958 | 0.98 | — | — | |
| SCHEMBL10290 | 0.98 | — | — | |
| Fluoride SCHEMBL28159076 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| SCHEMBL28901431 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| Benzene SCHEMBL28175560 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| SCHEMBL1434898 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| Water SCHEMBL10431157 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| Ammonia Solution, Strong SCHEMBL14894047 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 | |
| Hydrochloric Acid SCHEMBL8801533 | 0.96 | IDO1 (0.45) | IDO1HSP90AA1CDK2DYRK1ANOS1 |
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-0361382-B1 | ANTIEPILEPTIC PYRAZOLOPYRIDINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| US-4916140-A | CALCIUM CHANNEL BLOCKERS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-10 | — | — | US | disclosed |