Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.64 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.64 |
| ▸ | KIF11 | P52732 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5352781 | 0.89 | KIF11 (0.77) | ADORA2BKIF11PKM | |
| SCHEMBL5345378 | 0.87 | MAPT (0.66) | MAPTADORA2BADORA1MCL1KIF11 | |
| SCHEMBL5352815 | 0.86 | KIF11 (0.65) | ADORA2BKIF11PKMMEN1KMT2A | |
| SCHEMBL10113135 | 0.85 | GAA (0.64) | ADORA2BKIF11PKMMEN1KMT2A | |
| SCHEMBL10113145 | 0.83 | HSD17B10 (0.67) | ADORA2BKIF11PKMMEN1KMT2A | |
| SCHEMBL10144746 | 0.83 | POLB (0.61) | KIF11PKMPOLB | |
| SCHEMBL5343438 | 0.82 | POLB (0.63) | KIF11PKMPOLB | |
| SCHEMBL10113224 | 0.82 | MAPT (0.82) | MAPTADORA2BADORA1MCL1POLB | |
| SCHEMBL10113437 | 0.81 | ADORA2B (0.61) | ADORA2BKIF11PKMMEN1KMT2A | |
| SCHEMBL16457636 | 0.81 | TSHR (0.70) | PKM |
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-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 |