Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KYNU | Q16719 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1069195 | 0.84 | ESR1 (0.52) | ESR1KCNH2KYNUNOS3NOS1 | |
| SCHEMBL1068603 | 0.82 | ESR1 (0.36) | ESR1KCNH2KYNUNOS3NOS1 | |
| SCHEMBL3694002 | 0.73 | DPP4 (0.37) | RIPK1DPP4 | |
| SCHEMBL5500410 | 0.71 | ESR1 (0.35) | ESR1KCNH2GABRA1GABRB2 | |
| SCHEMBL1068884 | 0.71 | SLC7A5 (0.36) | RIPK1SLC1A1SLC7A5 | |
| SCHEMBL25924586 | 0.70 | ESR1 (0.33) | ESR1KCNH2DPP4 | |
| SCHEMBL3704633 | 0.70 | SLC7A5 (0.44) | SLC1A1NOS3NOS1NOS2SLC7A5 | |
| SCHEMBL1548277 | 0.69 | GABRA1 (0.44) | ESR1KCNH2GABRA1GABRB2ELANE | |
| SCHEMBL27895420 | 0.69 | FDPS (0.36) | ESR1KCNH2KYNU | |
| SCHEMBL66965 | 0.69 | CYP1A2 (0.55) | SLC1A1SLC7A5KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2493845-B1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER IP GMBH (DE) | 2013-12-25 | — | — | EP | disclosed |
| EP-2493845-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051165-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-05-05 | — | — | WO | disclosed |