Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.73 |
| ▸ | TACR3 | P29371 | 5/20 | 0.64 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL4128039 | 0.93 | TACR1 (0.84) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL445804 | 0.91 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL29809811 | 0.91 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL17222804 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL30800106 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| Netupitant SCHEMBL6637560 | 0.90 | TACR1 (0.98) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL23895400 | 0.89 | TACR1 (0.95) | TACR1CYP3A4TACR3GPBAR1 | |
| SCHEMBL13921492 | 0.89 | TACR1 (0.95) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL29374667 | 0.89 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 | |
| Befetupitant SCHEMBL1399438 | 0.89 | TACR1 (1.00) | TACR1CYP3A4TACR3GPBAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776342-B1 | PROCESS FOR PREPARING CARBOXAMIDE PYRIDINE DERIVATIVES USED AS INTERMEDIATES IN THE SYNTHESIS OF NK-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | claimed |