Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.78 |
| ▸ | TACR3 | P29371 | 10/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6019571 | 0.88 | TACR1 (0.62) | TACR1TACR3CYP3A4 | |
| SCHEMBL6481717 | 0.88 | TACR1 (0.66) | TACR1TACR3CYP3A4 | |
| Befetupitant SCHEMBL1399438 | 0.88 | TACR1 (1.00) | TACR1TACR3CYP3A4 | |
| Befetupitant SCHEMBL29374667 | 0.88 | TACR1 (1.00) | TACR1TACR3CYP3A4 | |
| Befetupitant SCHEMBL1469769 | 0.87 | TACR1 (0.98) | TACR1TACR3CYP3A4 | |
| SCHEMBL1869493 | 0.86 | TACR1 (0.81) | TACR1TACR3CYP3A4 | |
| SCHEMBL2184409 | 0.85 | TACR1 (0.82) | TACR1TACR3CYP3A4 | |
| Hydrochloric Acid SCHEMBL6633807 | 0.84 | TACR1 (0.81) | TACR1TACR3CYP3A4 | |
| SCHEMBL6664699 | 0.84 | TACR1 (0.57) | TACR1TACR3CYP3A4 | |
| SCHEMBL1873431 | 0.81 | TACR1 (0.79) | TACR1TACR3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001151754-A | 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-METHYL-N-(6- MORPHOLIN-4-YL-4-O-TOLYL-PYRIDIN-3-YL)-ISOBUTYLAMIDE | F HOFFMANN LA ROCHE AG | 2001-06-05 | — | — | JP | disclosed |