Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methyl 3-Phenylpropanoate. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | CMA1 | P23946 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.96 | TDP1 (0.68) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27315471 | 0.94 | TDP1 (0.66) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.94 | TDP1 (0.66) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27447160 | 0.94 | TDP1 (0.66) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL28004669 | 0.93 | TDP1 (0.59) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27364391 | 0.92 | TDP1 (0.63) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL213543 | 0.91 | KEAP1 (0.70) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL9424369 | 0.91 | TDP1 (0.61) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27822992 | 0.89 | TDP1 (0.59) | TDP1ALDH1A1CA12CA7CA9 | |
| Methyl 3-Phenylpropanoate SCHEMBL27506579 | 0.89 | KEAP1 (0.68) | TDP1ALDH1A1CA12CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455284-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2019-03-20 | — | — | EP | disclosed |
| WO-2017196763-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| WO-2017196762-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-16 | — | — | WO | disclosed |
| EP-3218425-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016077513-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2016-05-19 | — | — | WO | disclosed |