Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL11544800 | 0.93 | ESR1 (0.46) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| Biphenyl SCHEMBL11546378 | 0.90 | ESR1 (0.46) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL437758 | 0.86 | ESR1 (0.52) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL27190586 | 0.82 | TAAR1 (0.47) | KDM4ETAAR1L3MBTL1KMT2AIDO1 | |
| SCHEMBL22973728 | 0.82 | CES2 (0.36) | ALDH1A1NPC1RAB9A | |
| SCHEMBL13284437 | 0.82 | CYP1A2 (0.47) | TAAR1L3MBTL1KMT2ATDP1NPC1 | |
| SCHEMBL2817046 | 0.82 | TDP1 (0.47) | ESR1ESR2ALDH1A1TAAR1L3MBTL1 | |
| SCHEMBL22589820 | 0.81 | IDO1 (0.48) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL16301879 | 0.77 | OPRK1 (0.42) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL2176947 | 0.77 | TSHR (0.41) | ALDH1A1TDP1CA2CA12CA1 |
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 |