Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960858 | 0.90 | ROCK2 (0.38) | ROCK2CYP3A4TOP1 | |
| SCHEMBL205843 | 0.87 | ROCK2 (0.38) | ROCK2ALDH1A1TSHR | |
| SCHEMBL8963331 | 0.85 | ROCK2 (0.38) | ROCK2ALDH1A1TSHR | |
| Perchlorate SCHEMBL9676819 | 0.82 | ROCK2 (0.35) | ROCK2 | |
| SCHEMBL31566349 | 0.82 | ACHE (0.33) | ALDH1A1TSHRTOP1 | |
| SCHEMBL301164 | 0.82 | ACHE (0.33) | ALDH1A1TSHRTOP1 | |
| Perchlorate SCHEMBL9676816 | 0.80 | ROCK2 (0.33) | ROCK2 | |
| Hydrochloric Acid SCHEMBL3452951 | 0.78 | DRD1 (0.31) | TOP1 | |
| SCHEMBL8960743 | 0.78 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL3929841 | 0.77 | SIGMAR1 (0.35) | ROCK2 |
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-5508438-A | Phosphorus compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-04-16 | — | — | US | disclosed |