Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | GRM8 | O00222 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11840723 | 0.94 | AKR1C3 (0.52) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL1398714 | 0.85 | CES2 (0.47) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL7289441 | 0.82 | CES2 (0.49) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL11755325 | 0.81 | CES2 (0.66) | CES2CES1ACP3SRD5A2GSK3B | |
| SCHEMBL11753080 | 0.80 | CES2 (0.56) | CES2CES1ACP3SRD5A2GSK3B | |
| SCHEMBL3130953 | 0.79 | CES2 (0.53) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL9047892 | 0.79 | SRC (0.54) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL4077713 | 0.78 | CES2 (0.54) | CES2AKR1C3AKR1C2ACP3SRD5A2 | |
| SCHEMBL504285 | 0.78 | CES2 (0.67) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL5860711 | 0.78 | CES2 (0.52) | CES2CES1AKR1C3AKR1C2ACP3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103113219-A | Synthetic method of 2-chlorine-4-trifluoromethyl benzoic acid | UNIV HEILONGJIANG | 2013-05-22 | — | — | CN | claimed |
| CN-104955454-B | Chemokine receptor anagonists | 凯莫森特里克斯股份有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | disclosed |
| EP-2734526-B1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-04-06 | — | — | EP | disclosed |
| US-9221832-B2 | Heterocyclic amide derivatives as P2X7 receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2015-12-29 | — | — | US | disclosed |
| CN-104955454-A | Antagonists of chemokine receptors | CHEMOCENTRYX INC | 2015-09-30 | — | — | CN | disclosed |
| US-20140163035-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2014-06-12 | — | — | US | disclosed |
| EP-2734526-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2014-05-28 | — | — | EP | disclosed |
| CN-103113219-A | Synthetic method of 2-chlorine-4-trifluoromethyl benzoic acid | UNIV HEILONGJIANG | 2013-05-22 | — | — | CN | disclosed |
| WO-2013014587-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-31 | — | — | 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-20140163035-A1 | HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | P2RX7, P2RX3, P2RX1 | CES2 2429/4885CES1 1827/4885AKR1C3 796/4885 |
“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.