Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29989732 | 0.93 | IDO1 (0.46) | CES2CES1OPRM1OPRD1OPRK1 | |
| SCHEMBL23579527 | 0.93 | IDO1 (0.46) | CES2CES1OPRM1OPRD1OPRK1 | |
| SCHEMBL228667 | 0.91 | IDO1 (0.48) | CES2CES1OPRM1OPRD1OPRK1 | |
| SCHEMBL16861689 | 0.88 | CES2 (0.41) | CES2CES1OPRM1OPRD1OPRK1 | |
| SCHEMBL2675785 | 0.81 | OPRM1 (0.55) | OPRM1OPRD1OPRK1OPRL1IDO1 | |
| SCHEMBL2676517 | 0.81 | OPRM1 (0.55) | OPRM1OPRD1OPRK1OPRL1IDO1 | |
| SCHEMBL378910 | 0.81 | OPRM1 (0.55) | OPRM1OPRD1OPRK1OPRL1IDO1 | |
| SCHEMBL4972107 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL15609148 | 0.79 | CES2 (0.41) | CES2CES1OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL4879041 | 0.79 | OPRM1 (0.54) | OPRM1OPRD1OPRK1OPRL1IDO1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074780-A | Process for producing pyrimidin-1-ol compound and intermediate thereof | 卫材R&D管理有限公司 | 2017-08-18 | — | — | CN | disclosed |
| US-20070142431-A1 | Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2007-06-21 | — | — | US | disclosed |
| US-20070142431-A1 | Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2007-06-21 | — | — | US | disclosed |
| US-20070142431-A1 | Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2007-06-21 | — | — | US | disclosed |
| EP-1651632-A1 | QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014575-A1 | QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-17 | — | — | 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-20070142431-A1 | Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists | TACR3, GRIK3, TACR2 | CES2 1473/4885CES1 2501/4885OPRM1 161/4885 |
“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.