Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588230 | 1.00 | TACR1 (0.39) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| Hydrochloric Acid SCHEMBL31593180 | 0.99 | TACR1 (0.39) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL16142417 | 0.93 | TACR1 (0.48) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7022722 | 0.91 | TACR1 (0.41) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7022578 | 0.89 | TACR1 (0.40) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7025187 | 0.88 | TACR1 (0.39) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7025846 | 0.87 | SLC6A2 (0.39) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7023413 | 0.87 | TACR1 (0.39) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7027378 | 0.86 | TACR1 (0.38) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL7029570 | 0.86 | ALDH1A1 (0.38) | TACR1NR3C1CYP3A4FPR1TACR3 |
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-112939885-A | Preparation method of aprepitant key intermediate | 海南鑫开源医药科技有限公司 | 2021-06-11 | — | — | CN | disclosed |