Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.38 |
| ▸ | F7 | P08709 | 6/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 6/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | F9 | P00740 | 3/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 3/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL6775414 | 0.94 | ROCK1 (0.41) | ROCK1F7KLKB1F3F9 | |
| SCHEMBL6770804 | 0.86 | KLKB1 (0.35) | ROCK1F7KLKB1F3F9 | |
| Trifluoroacetic Acid SCHEMBL6770678 | 0.81 | F7 (0.33) | ROCK1F7KLKB1F9F10 | |
| SCHEMBL6776349 | 0.75 | ROCK1 (0.46) | ROCK1F10PLAU | |
| SCHEMBL6770681 | 0.74 | KLKB1 (0.32) | F7KLKB1F9F10PLAU | |
| SCHEMBL6769241 | 0.71 | ROCK1 (0.45) | ROCK1PLAU | |
| SCHEMBL6770030 | 0.71 | ALDH1A1 (0.48) | KLKB1PLAU | |
| Trifluoroacetic Acid SCHEMBL6771709 | 0.69 | F10 (0.62) | F7KLKB1F9F10PLAU | |
| Trifluoroacetic Acid SCHEMBL6776292 | 0.69 | DPP4 (0.52) | PDE3BPDE3APDE10A | |
| SCHEMBL17786878 | 0.68 | KLKB1 (0.46) | KLKB1F9F10KLK1PDE3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825181-B1 | ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | disclosed |
| EP-1065200-A1 | AMINOISOQUINOLINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2001-01-03 | — | — | EP | disclosed |