Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 5/20 | 0.39 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.39 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17437909 | 0.77 | PTGER1 (0.43) | MAPK14L3MBTL1CCR5PTGER1CYP1A2 | |
| SCHEMBL20654240 | 0.75 | CCR5 (0.40) | MAPK14SMN1; SMN2RAB9AL3MBTL1HTT | |
| SCHEMBL29690396 | 0.70 | PTGDR2 (0.61) | SMN1; SMN2NPC1MAPTRAB9ACCNB2 | |
| SCHEMBL82269 | 0.70 | PTGDR2 (0.61) | SMN1; SMN2NPC1MAPTRAB9ACCNB2 | |
| SCHEMBL29537861 | 0.68 | CCNB2 (0.72) | SMN1; SMN2NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL433401 | 0.68 | CCNB2 (0.72) | SMN1; SMN2NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL8305004 | 0.68 | CCNB2 (0.58) | MAPK14SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL31588911 | 0.68 | MAPT (0.66) | SMN1; SMN2NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL16097909 | 0.68 | CCNB2 (0.50) | MAPK14SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL14318903 | 0.68 | CYP1A2 (0.45) | MAPK14SMN1; SMN2NPC1MAPTRAB9A |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |