Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8961009 | 0.90 | ROCK2 (0.34) | ROCK2TOP1CYP3A4 | |
| SCHEMBL205843 | 0.88 | ROCK2 (0.38) | ROCK2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8963331 | 0.86 | ROCK2 (0.38) | ROCK2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL12015428 | 0.84 | HPGD (0.40) | ROCK2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| Perchlorate SCHEMBL9676819 | 0.84 | ROCK2 (0.35) | ROCK2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8149220 | 0.82 | ROCK2 (0.36) | ROCK2DRD1TOP1HPGDLMNA | |
| SCHEMBL1369639 | 0.81 | CYP3A4 (0.39) | ROCK2DRD1TOP1CYP3A4TDP1 | |
| Perchlorate SCHEMBL9676816 | 0.81 | ROCK2 (0.33) | ROCK2SIGMAR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL301645 | 0.81 | TDP1 (0.46) | DRD1TOP1CYP3A4TDP1 | |
| SCHEMBL30142870 | 0.81 | TDP1 (0.46) | DRD1TOP1CYP3A4TDP1 |
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 |