Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27837181 | 0.89 | TP53 (0.37) | MCL1ALPLCA9TP53ESR1 | |
| SCHEMBL16613073 | 0.87 | KMO (0.46) | HCRTR2 | |
| SCHEMBL15189624 | 0.82 | MEN1 (0.46) | L3MBTL1HCRTR2ADORA2AIMPDH2KMT2A | |
| SCHEMBL10432319 | 0.80 | KMO (0.43) | NOTUM | |
| SCHEMBL5546097 | 0.79 | ADORA2A (0.54) | HCRTR2ADORA2AKMT2AMAPTALDH1A1 | |
| SCHEMBL16612946 | 0.78 | ADORA2A (0.44) | ADORA2AKMT2AALDH1A1 | |
| SCHEMBL15189739 | 0.78 | GSK3B (0.51) | POLBL3MBTL1KMT2AMAPTALDH1A1 | |
| SCHEMBL17746046 | 0.78 | MAPK14 (0.45) | POLBADORA2ANOTUMKMT2AALDH1A1 | |
| SCHEMBL1166888 | 0.78 | ADORA2A (0.46) | MCL1ALPLCA9HCRTR2ADORA2A | |
| SCHEMBL15189706 | 0.77 | GSK3B (0.51) | TP53MAPK1TDP1NOTUMKMT2A |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |