Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 9/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4605236 | 0.97 | PKM (0.45) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4606268 | 0.97 | PKM (0.45) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4604593 | 0.92 | PKM (0.54) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4603586 | 0.89 | PKM (0.54) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4605876 | 0.89 | PKM (0.54) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4607327 | 0.84 | ESR1 (0.56) | ESR1MAPK1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL4603155 | 0.83 | ESR1 (0.56) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4603189 | 0.82 | ALDH1A1 (0.44) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL4603505 | 0.82 | PKM (0.41) | PKMGAAKDM4EALDH1A1KMT2A | |
| SCHEMBL6296763 | 0.82 | ESR1 (0.58) | ALDH1A1ESR1AKR1C4AKR1C3AKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139710-B2 | Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 2015-09-22 | — | — | US | disclosed |
| US-20070270535-A1 | Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 2007-11-22 | — | — | US | disclosed |