Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL909100 | 1.00 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL1198624 | 1.00 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL16619212 | 0.90 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL1509715 | 0.90 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL1509714 | 0.90 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL9933316 | 0.90 | CETP (0.37) | CETPNR1H2NR1H3ABCB1GPR119 | |
| SCHEMBL17986554 | 0.89 | STS (0.36) | CETPNR1H2NR1H3NPC1ALDH1A1 | |
| SCHEMBL21268160 | 0.89 | STS (0.36) | CETPNR1H2NR1H3NPC1ALDH1A1 | |
| SCHEMBL21268162 | 0.89 | STS (0.36) | CETPNR1H2NR1H3NPC1ALDH1A1 | |
| SCHEMBL16619599 | 0.89 | STS (0.36) | CETPNR1H2NR1H3NPC1ALDH1A1 |
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-2276756-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-26 | — | — | EP | disclosed |