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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403310 | 0.84 | TSHR (0.52) | TSHRCA12CA14KMT2ACA7 | |
| SCHEMBL1403319 | 0.84 | TSHR (0.52) | TSHRCA12CA14KMT2ACA7 | |
| SCHEMBL30200783 | 0.84 | TSHR (0.52) | TSHRCA12CA14KMT2ACA7 | |
| Dimethyl Succinate SCHEMBL27988578 | 0.83 | TSHR (0.68) | TSHRCA12CA14KMT2AMEN1 | |
| SCHEMBL10643440 | 0.78 | CYP1A2 (0.45) | TSHRCA12KMT2ACA9LMNA | |
| SCHEMBL7949446 | 0.77 | TSHR (0.38) | TSHRCA12CA14KMT2AMEN1 | |
| SCHEMBL1968935 | 0.76 | TSHR (0.57) | TSHRCA12CA14KMT2AMEN1 | |
| SCHEMBL4374105 | 0.76 | TSHR (0.57) | TSHRCA12CA14KMT2AMEN1 | |
| SCHEMBL5328818 | 0.76 | TSHR (0.43) | TSHRCA12CA14KMT2AMEN1 | |
| SCHEMBL9332839 | 0.74 | KDM4E (0.33) | TSHRKMT2ALMNAKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885722-B1 | QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS | MERCK CANADA INC (CA) | 2011-11-16 | — | — | EP | disclosed |
| US-20110262430-A1 | NOVEL ANTIBODIES | ELLIS JONATHAN HENRY | 2011-10-27 | — | — | US | disclosed |
| US-8013159-B2 | Quinoline derivatives as EP4 antagonists | MERCK CANADA INC. (CA) | 2011-09-06 | — | — | US | disclosed |
| US-20090099226-A1 | Quinoline derivatives as ep4 antagonists | MERCK CANADA INC. (CA) | 2009-04-16 | — | — | US | 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-20090099226-A1 | Quinoline derivatives as ep4 antagonists | PTGER4, PTGER1, PTGER3 | CA12 3099/4885CA2 1459/4885TSHR 1051/4885 |
“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.