Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Vestipitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Vestipitant SCHEMBL2485871 | 1.00 | TACR1 (1.00) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL14336089 | 1.00 | TACR1 (1.00) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL29447787 | 1.00 | TACR1 (1.00) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL14335197 | 0.96 | TACR1 (0.92) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL14335764 | 0.96 | TACR1 (0.92) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL14335426 | 0.95 | TACR1 (0.90) | TACR1CYP3A4SIGMAR1 | |
| Vestipitant SCHEMBL14335424 | 0.95 | TACR1 (0.90) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL6546058 | 0.93 | TACR1 (0.86) | TACR1CYP3A4SIGMAR1 | |
| SCHEMBL2487012 | 0.92 | TACR1 (0.85) | TACR1 | |
| SCHEMBL16888843 | 0.92 | TACR1 (0.84) | TACR1CYP3A4SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2117562-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LTD (GB) | 2011-10-26 | — | — | EP | disclosed |
| EP-2117535-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LTD (GB) | 2011-10-26 | — | — | EP | disclosed |