Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL437757 | 0.86 | ESR1 (0.50) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL8855401 | 0.80 | IDO1 (0.50) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| Butane SCHEMBL11544800 | 0.80 | ESR1 (0.46) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL29286607 | 0.79 | TAAR1 (0.50) | HTR3ATAAR1IDO1 | |
| SCHEMBL22973726 | 0.79 | TRPA1 (0.36) | ALDH1A1TAAR1 | |
| SCHEMBL4408254 | 0.79 | TAAR1 (0.50) | TAAR1KMT2AIDO1 | |
| SCHEMBL1101315 | 0.78 | CA1 (0.48) | ESR1ESR2ALDH1A1TAAR1TDP1 | |
| SCHEMBL2173061 | 0.77 | TSHR (0.44) | ALDH1A1TDP1CA2CA12CA1 | |
| Biphenyl SCHEMBL11546378 | 0.77 | ESR1 (0.46) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL19047033 | 0.77 | MET (0.59) | ESR1ESR2KDM4EALDH1A1HTR1A |
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-2595952-B1 | AGONISTS OF GPR40 | CONNEXIOS LIFE SCIENCES PVT LTD (IN) | 2020-11-18 | — | — | EP | disclosed |
| EP-2595952-A1 | AGONISTS OF GPR40 | Connexios Life Sciences Pvt. Ltd. (IN) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012011125-A1 | AGONISTS OF GPR40 | CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |