Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | NPY2R | P49146 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.30 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8640638 | 0.77 | TSHR (0.50) | TSHRNPY1RNPY2RPLA2G1BPLA2G2A | |
| SCHEMBL25178946 | 0.75 | CETP (0.40) | TSHRNPY1RNPY2RPLA2G1BPLA2G2A | |
| SCHEMBL11248891 | 0.74 | CYP2C19 (0.38) | CYP2C19LMNA | |
| SCHEMBL16597197 | 0.72 | PLA2G1B (0.37) | LMNATSHRNPY1RNPY2RPLA2G1B | |
| SCHEMBL23111418 | 0.70 | — | — | |
| SCHEMBL1396261 | 0.69 | — | — | |
| SCHEMBL1147342 | 0.69 | TSHR (0.44) | LMNATSHRNPY1RNPY2RPLA2G1B | |
| SCHEMBL10540480 | 0.69 | — | — | |
| SCHEMBL1133420 | 0.69 | — | — | |
| Water SCHEMBL6558682 | 0.69 | TSHR (0.32) | TSHRNPY1RNPY2RPLA2G1BPLA2G2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4321271-A | ADMINISTERED WITH FOOD | BEECHAM GROUP LIMITED (GB) | 1982-03-23 | — | — | US | claimed |
| US-4321271-A | ADMINISTERED WITH FOOD | BEECHAM GROUP LIMITED (GB) | 1982-03-23 | — | — | US | disclosed |
| EP-0022629-A2 | 2-Aminoethanol derivatives, their preparation and use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-01-21 | — | — | EP | disclosed |