Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5758519 | 0.82 | TACR1 (0.69) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL5966342 | 0.80 | TACR1 (0.62) | TACR1GPBAR1 | |
| SCHEMBL1399432 | 0.80 | TACR1 (0.70) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL6987006 | 0.77 | TACR1 (0.49) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL4727287 | 0.74 | TACR1 (0.48) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL5759090 | 0.70 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL14349117 | 0.70 | TACR1 (0.52) | TACR1 | |
| SCHEMBL23361960 | 0.69 | GPBAR1 (0.58) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL30980992 | 0.69 | GPBAR1 (0.58) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL1399470 | 0.69 | TACR1 (0.54) | TACR1GPBAR1 |
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-1305319-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-04-05 | — | — | EP | disclosed |
| US-6624176-B2 | Heteroaromatic substituted amide showing antagonist activity to neurokinin 1 (NK-1, substance P) receptors for nervous system disorders and antidepressants | HOFFMANN-LA ROCHE INC. | 2003-09-23 | — | — | US | disclosed |
| US-20030130508-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | HOFFMANN TORSTEN (DE) | 2003-07-10 | — | — | US | disclosed |
| US-6576762-B2 | For therapy of inflammatory conditions including migraine, rheumatoid arthritis, asthma, and inflammatory bowel disease as well as mediation of the emetic reflex and the modulation of central nervous system (CNS) disorders such as Parkinson's | HOFFMANN-LA ROCHE INC. | 2003-06-10 | — | — | US | disclosed |
| US-20020038030-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | F.HOFFMANN-LA ROCHE AG (CH) | 2002-03-28 | — | — | 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 (2 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-20030130508-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | TACR1, NPSR1, TACR2 | TACR1 1/4885CYP3A4 1538/4885CYP1A2 1656/4885 |
| US-20020038030-A1 | Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors | TACR1, NPSR1, TACR2 | TACR1 1/4885CYP3A4 1538/4885CYP1A2 1656/4885 |
“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.