Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8378509 | 0.90 | ROCK2 (0.39) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10850013 | 0.84 | MEN1 (0.39) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7962312 | 0.82 | ROCK1 (0.35) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9266400 | 0.79 | ROCK1 (0.33) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9413823 | 0.79 | ROCK2 (0.35) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11094899 | 0.79 | KCNN4 (0.34) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8529453 | 0.77 | ROCK2 (0.32) | ROCK2ROCK1 | |
| SCHEMBL8529459 | 0.77 | ROCK2 (0.32) | ROCK2ROCK1 | |
| SCHEMBL9413825 | 0.74 | MEN1 (0.38) | ROCK2ROCK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10742489 | 0.74 | KCNN4 (0.33) | KCNN4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4431804-A | CEPHALOSPORIN DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |