Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | PTAFR | P25105 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17233069 | 0.87 | TACR1 (0.47) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215494 | 0.83 | TACR1 (0.56) | TACR1 | |
| SCHEMBL17233214 | 0.76 | NR1H2 (0.39) | — | |
| SCHEMBL2799702 | 0.76 | TRPV1 (0.39) | TACR1TRPV1 | |
| SCHEMBL5747657 | 0.74 | TACR1 (0.38) | TACR1TRPV1 | |
| SCHEMBL15215531 | 0.73 | TACR1 (0.47) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL17233151 | 0.70 | TACR1 (0.43) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215456 | 0.69 | TACR1 (0.51) | TACR1 | |
| SCHEMBL17233095 | 0.69 | TACR1 (0.44) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15212827 | 0.69 | TACR1 (0.39) | TACR1PTAFRSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |