Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3861319 | 0.85 | CYP3A4 (0.48) | CYP19A1TBXAS1CYP11B2CYP11B1CYP3A4 | |
| SCHEMBL27890627 | 0.73 | CYP19A1 (0.47) | CYP19A1TBXAS1ALDH1A1MAP4K4 | |
| SCHEMBL28010992 | 0.73 | CYP19A1 (0.47) | CYP19A1TBXAS1CYP3A4ALDH1A1HTT | |
| SCHEMBL12459199 | 0.73 | CYP19A1 (0.47) | CYP19A1TBXAS1CYP3A4HTT | |
| SCHEMBL459641 | 0.72 | CES1 (0.40) | CYP19A1CYP11B2CYP11B1CYP3A4CYP17A1 | |
| SCHEMBL29987608 | 0.72 | CES1 (0.40) | CYP19A1CYP11B2CYP11B1CYP3A4CYP17A1 | |
| Hydrochloric Acid SCHEMBL27549267 | 0.71 | CYP19A1 (0.46) | CYP19A1TBXAS1CYP3A4HTT | |
| SCHEMBL22579802 | 0.70 | TDP1 (0.42) | CYP19A1TBXAS1CYP3A4HTTCTSL | |
| SCHEMBL24097109 | 0.69 | CYP19A1 (0.43) | CYP19A1TBXAS1CTSLPTPRCCTSS | |
| SCHEMBL28228601 | 0.67 | PDE5A (0.40) | CYP19A1TBXAS1CYP3A4ALDH1A1 |
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-1819676-A4 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-15 | — | — | EP | disclosed |
| CN-101287709-A | 5-phenyl-5,6,7,8-hydroquinoline tachykinin receptor antagonists | MERCK & CO INC (US) | 2008-10-15 | — | — | CN | disclosed |
| US-20080009518-A1 | 5-Phenyl-5,6,7,8-Hydroquinoline Tachykinin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| EP-1819676-A2 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006060344-A2 | 5-PHENYL-5,6,7,8-HYDROQUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-08 | — | — | 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-20080009518-A1 | 5-Phenyl-5,6,7,8-Hydroquinoline Tachykinin Receptor Antagonists | TACR1, HTR5A, TACR2 | CYP19A1 2062/4885TBXAS1 1531/4885CYP11B2 2782/4885 |
“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.