Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | STS | P08842 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL934140 | 0.89 | CA1 (0.60) | CA1CA2MAPTSTSTRPV1 | |
| SCHEMBL514352 | 0.89 | CA1 (0.64) | CA1CA2MAPTSTSTRPV1 | |
| SCHEMBL2733809 | 0.85 | CA1 (0.64) | CA1CA2MAPTSTSCA12 | |
| SCHEMBL14930553 | 0.84 | CA1 (0.58) | CA1CA2MAPTSTSTRPV1 | |
| SCHEMBL9172082 | 0.82 | TRPV1 (0.58) | CA1CA2MAPTSTSTRPV1 | |
| SCHEMBL5325355 | 0.82 | CA1 (0.56) | CA1CA2MAPTSTSCA12 | |
| SCHEMBL28303307 | 0.81 | CA1 (0.60) | CA1CA2MAPTSTSCA12 | |
| SCHEMBL28050269 | 0.81 | TSHR (0.59) | CA1CA2TRPV1EPHX2KMT2A | |
| SCHEMBL13266961 | 0.80 | CA1 (0.58) | CA1CA2MAPTSTSCA12 | |
| SCHEMBL28584064 | 0.80 | CA1 (0.58) | CA1CA2MAPTSTSCA12 |
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-103403004-B | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2016-06-01 | — | — | CN | disclosed |