Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 5/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.35 |
| ▸ | USP9X | Q93008 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29511445 | 1.00 | ROCK2 (0.36) | ROCK2KCNK3THRBNPC1RXFP1 | |
| SCHEMBL23404646 | 0.92 | ITGB1 (0.39) | KCNK3KCNK9USP9XCTSA | |
| SCHEMBL23404650 | 0.92 | ITGB1 (0.39) | KCNK3KCNK9USP9XCTSA | |
| SCHEMBL23404652 | 0.92 | ITGB1 (0.39) | KCNK3KCNK9USP9XCTSA | |
| SCHEMBL20154321 | 0.89 | RXFP1 (0.39) | ROCK2THRBNPC1RXFP1ALDH1A1 | |
| SCHEMBL29511460 | 0.89 | RXFP1 (0.39) | ROCK2THRBNPC1RXFP1ALDH1A1 | |
| SCHEMBL21271439 | 0.80 | CTSA (0.40) | POLBKMT2ACTSA | |
| SCHEMBL21271440 | 0.80 | CTSA (0.40) | POLBKMT2ACTSA | |
| SCHEMBL21271441 | 0.80 | CTSA (0.40) | POLBKMT2ACTSA | |
| SCHEMBL20158250 | 0.79 | LMNA (0.36) | KCNK3THRBNPC1RXFP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3707142-B1 | PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-12-08 | — | — | EP | disclosed |