Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27679367 | 0.83 | CYP2C19 (0.50) | CYP2C19HIF1AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL878150 | 0.78 | CYP2C19 (0.38) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL2364637 | 0.75 | KCNN4 (0.41) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL27621428 | 0.73 | CYP1A2 (0.48) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL2365012 | 0.73 | MMP2 (0.38) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL28021844 | 0.72 | CYP1A2 (0.47) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL27623245 | 0.70 | HDAC3 (0.40) | CYP2C19HIF1ACYP1A2MAPTKCNN4 | |
| SCHEMBL75391 | 0.70 | ALDH1A1 (0.72) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL1682512 | 0.70 | HIF1A (0.53) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 | |
| SCHEMBL5329346 | 0.69 | KIF11 (0.53) | CYP2C19HIF1AALDH1A1CYP3A4ESR1 |
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-2011092284-A1 | NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS | EUROSCREEN S.A. (BE) | 2011-08-04 | — | — | WO | disclosed |