Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.48 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.44 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.43 |
| ▸ | ALDH5A1 known ✓ | P51649 | 1/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL5607531 | 0.98 | ALDH1A1 (0.59) | ALDH1A1KDM4ETBXAS1ESR1ESR2 | |
| SCHEMBL30586766 | 0.82 | AKR1C3 (0.67) | ALDH1A1TBXAS1AKR1C3HPGDMEN1 | |
| SCHEMBL8051968 | 0.81 | ALDH1A1 (0.63) | ALDH1A1KDM4EESR1ESR2PTGS2 | |
| SCHEMBL8051967 | 0.81 | ALDH1A1 (0.63) | ALDH1A1KDM4EESR1ESR2PTGS2 | |
| SCHEMBL15272115 | 0.81 | ALDH1A1 (0.69) | ALDH1A1KDM4EESR1ESR2PTGS2 | |
| SCHEMBL15272117 | 0.81 | ALDH1A1 (0.69) | ALDH1A1KDM4EESR1ESR2PTGS2 | |
| SCHEMBL28915265 | 0.79 | CYP1A2 (0.49) | ALDH1A1KDM4ETBXAS1AKR1C3CA1 | |
| SCHEMBL30103348 | 0.79 | CYP1A2 (0.49) | ALDH1A1KDM4ETBXAS1AKR1C3CA1 | |
| SCHEMBL83883 | 0.79 | AKR1C3 (0.69) | ALDH1A1KDM4ETBXAS1ESR1ESR2 | |
| SCHEMBL83882 | 0.79 | AKR1C3 (0.69) | ALDH1A1KDM4ETBXAS1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| EP-1687250-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS | Takasago International Corporation (JP) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051882-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-06-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070142472-A1 | Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids | ALDH1A2, ALDH1A3, GRHPR | ESR2 3089/4885PTGS2 2308/4885PTGS1 1782/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.