Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | APAF1 | O14727 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28797485 | 0.84 | APAF1 (0.51) | ESR1KCNH2APAF1KDM4EPOLB | |
| SCHEMBL430339 | 0.83 | L3MBTL1 (0.46) | ESR1KCNH2APAF1KDM4EPOLB | |
| SCHEMBL24899379 | 0.83 | L3MBTL1 (0.46) | ESR1KCNH2APAF1KDM4EPOLB | |
| SCHEMBL17846861 | 0.83 | ESR1 (0.52) | ESR1KCNH2KDM4EPOLBMAPT | |
| SCHEMBL17846977 | 0.83 | ESR1 (0.52) | ESR1KCNH2KDM4EPOLBMAPT | |
| SCHEMBL1067475 | 0.81 | ESR1 (0.50) | ESR1KCNH2CYP3A4TSHRPIK3CA | |
| Acetic Acid SCHEMBL8962476 | 0.80 | L3MBTL1 (0.44) | ESR1KCNH2APAF1KDM4EPOLB | |
| SCHEMBL1069195 | 0.80 | ESR1 (0.52) | ESR1KCNH2KDM4EPOLBCYP3A4 | |
| SCHEMBL8520662 | 0.78 | APAF1 (0.59) | APAF1KDM4EPOLBMAPTRECQL | |
| SCHEMBL570477 | 0.77 | ESR1 (0.51) | ESR1KCNH2KDM4ECYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107257790-A | Substituted pyridyl ring alkyl carboxylic acid, include their compositions and its medical usage | 拜耳医药股份有限公司 | 2017-10-17 | — | — | CN | disclosed |
| 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 |