Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 7/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18390319 | 0.80 | NPC1 (0.47) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL9050481 | 0.78 | SMN1; SMN2 (0.34) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL22061443 | 0.77 | NPC1 (0.49) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL17790206 | 0.74 | NPC1 (0.46) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL17788646 | 0.70 | NPC1 (0.43) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL13059139 | 0.70 | — | — | |
| SCHEMBL29950950 | 0.69 | NPC1 (0.49) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL23229759 | 0.69 | NPC1 (0.39) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT | |
| SCHEMBL31352136 | 0.68 | — | — | |
| SCHEMBL12507379 | 0.65 | NPC1 (0.45) | SMN1; SMN2NPC1ALDH1A1KDM4EHTT |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |