Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.74 |
| ▸ | TACR3 | P29371 | 2/20 | 0.74 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | FPR1 | P21462 | 1/20 | 0.74 |
| ▸ | GPR183 | P32249 | 1/20 | 0.74 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.74 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.74 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.74 |
| ▸ | TACR2 | P21452 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604637 | 0.86 | TACR1 (0.74) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL6604634 | 0.86 | TACR1 (0.74) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL6045220 | 0.86 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL7117513 | 0.86 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL21976795 | 0.85 | TACR1 (0.68) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL23420636 | 0.85 | TACR1 (1.00) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL3232587 | 0.85 | TACR1 (1.00) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL4790281 | 0.85 | TACR1 (1.00) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL12063232 | 0.85 | TACR1 (1.00) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL12228634 | 0.85 | TACR1 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| CN-107954998-B | Preparation method of fosaprepitant intermediate | 江苏豪森药业集团有限公司 | 2022-08-12 | — | — | CN | disclosed |