Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 3/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | PTGES | O14684 | 4/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.45 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19318505 | 0.87 | PTGES (0.55) | TRPV1NAMPTPTGESKCNQ3KCNQ2 | |
| SCHEMBL4853173 | 0.82 | TRPV1 (0.49) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL30791579 | 0.81 | TRPV1 (0.51) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL14306286 | 0.81 | TRPV1 (0.51) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL22501639 | 0.80 | TRPV1 (0.52) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL31236179 | 0.79 | TRPV1 (0.51) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL27799310 | 0.79 | RIPK1 (0.67) | RIPK1NAMPT | |
| SCHEMBL10263975 | 0.78 | L3MBTL1 (0.50) | TRPV1NAMPTKCNQ3KCNQ2KCNQ4 | |
| SCHEMBL14279029 | 0.78 | PTGES (0.56) | TRPV1NAMPTPTGESKCNQ3KCNQ2 | |
| SCHEMBL2138280 | 0.76 | EPHX2 (0.61) | CA1CA2 |
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-101679457-A | Piperazine and [1,4] diazepane derivatives as NK antagonists | HOFFMANN LA ROCHE | 2010-03-24 | — | — | CN | disclosed |