Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KYNU | Q16719 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1905545 | 0.84 | ESR1 (0.39) | ESR1KCNH2KYNUNOS3NOS1 | |
| SCHEMBL1068603 | 0.84 | ESR1 (0.36) | ESR1KCNH2KYNUNOS3NOS1 | |
| SCHEMBL1907795 | 0.80 | ESR1 (0.56) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL1067475 | 0.77 | ESR1 (0.50) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL570477 | 0.73 | ESR1 (0.51) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL1678485 | 0.72 | AKR1B1 (0.48) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL3704633 | 0.71 | SLC7A5 (0.44) | NOS3NOS1NOS2SLC7A5 | |
| SCHEMBL27895420 | 0.70 | FDPS (0.36) | ESR1KCNH2KYNUALDH1A1KDM4E | |
| SCHEMBL17846977 | 0.70 | ESR1 (0.52) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| SCHEMBL17846861 | 0.70 | ESR1 (0.52) | ESR1KCNH2CYP3A4TSHRPIK3CA |
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 6 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 |
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011051165-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-05-05 | — | — | WO | disclosed |
| EP-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |