Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.48 |
| ▸ | TACR3 | P29371 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | FPR1 | P21462 | 1/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | TACR2 | P21452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076806 | 0.89 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL156379 | 0.89 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL21391935 | 0.84 | TACR1 (0.57) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL21956510 | 0.84 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL20580456 | 0.81 | TACR1 (0.57) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL20473749 | 0.81 | TACR1 (0.60) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL20580361 | 0.79 | TACR1 (0.58) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL17837327 | 0.78 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL22076807 | 0.78 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL156378 | 0.78 | TACR1 (0.59) | TACR1TACR3NR3C1CYP3A4FPR1 |
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-2322176-A1 | New 7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives | Almirall, S.A. (ES) | 2011-05-18 | — | — | EP | disclosed |