Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | EP300 | Q09472 | 1/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5416033 | 0.84 | CHRNB2 (0.51) | CYP11B2HTTEP300KAT2BCHRNB2 | |
| SCHEMBL5405408 | 0.74 | CHRNB2 (0.50) | CYP11B2HTTCHRNB2CHRNA4 | |
| SCHEMBL10839071 | 0.74 | CYP11B2 (0.36) | CYP11B2HTTEP300KAT2BGAA | |
| SCHEMBL5729484 | 0.73 | CHRNB2 (0.57) | HTTCHRNB2CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL5421049 | 0.72 | DPP4 (0.50) | CYP11B2HTTL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL1950379 | 0.72 | HTT (0.59) | CYP11B2HTTEP300KAT2BGAA | |
| SCHEMBL30241908 | 0.72 | CYP2A6 (0.58) | CYP11B2HTTEP300KAT2BGAA | |
| SCHEMBL5408330 | 0.72 | CHRNB2 (0.55) | CYP11B2HTTCYP11B1CHRNB2CHRNA4 | |
| SCHEMBL15553232 | 0.71 | CYP11B2 (0.42) | CYP11B2HTTEP300KAT2BGAA | |
| SCHEMBL21753805 | 0.69 | HTT (0.61) | HTTEP300KAT2BGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5399708-A | Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders | ELI LILLY AND COMPANY (US) | 1995-03-21 | — | — | US | disclosed |