Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5351543 | 0.88 | KIF11 (0.66) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL7267796 | 0.84 | CACNA1F (0.57) | ALDH1A1GAAMAPK1HSD17B10CYP1A2 | |
| SCHEMBL31705192 | 0.81 | KIF11 (0.80) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL5340534 | 0.81 | KIF11 (0.80) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL5341216 | 0.80 | KIF11 (1.00) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL5351765 | 0.79 | KIF11 (0.77) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL5354452 | 0.79 | PKM (0.78) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL5352781 | 0.79 | KIF11 (0.77) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL14413847 | 0.79 | KIF11 (0.77) | KIF11ALDH1A1GAAADORA2BMAPK1 | |
| SCHEMBL19752682 | 0.79 | PKM (0.78) | KIF11ALDH1A1GAAADORA2BMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007101213-A2 | NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007101213-A2 | NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |