Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | F11 | P03951 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 4/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2329787 | 0.79 | F11 (0.47) | ROCK2F11CYP1A2AAK1KLKB1 | |
| SCHEMBL4796037 | 0.78 | ROCK2 (0.58) | ROCK2 | |
| SCHEMBL26317752 | 0.77 | FGFR2 (0.56) | LMNAPIK3CAFGFR2MAP4K4MAPKAPK2 | |
| SCHEMBL4797888 | 0.75 | GPR142 (0.41) | ROCK2F11MKNK2DYRK1AAAK1 | |
| SCHEMBL1196058 | 0.73 | F11 (0.62) | ROCK2F11ALDH1A1ROCK1CIT | |
| SCHEMBL4804899 | 0.73 | MAOA (0.46) | ROCK2F11CYP3A4MAP4K4MKNK2 | |
| SCHEMBL3434356 | 0.73 | ROCK2 (0.40) | ROCK2F11MAPK1CLK4AKT1 | |
| SCHEMBL4806392 | 0.72 | F11 (0.51) | ROCK2F11CLK4MAP4K4PAK4 | |
| SCHEMBL4806539 | 0.72 | GRIA2 (0.50) | F11CYP3A4CYP2C9 | |
| SCHEMBL4798617 | 0.71 | F11 (0.57) | F11RPS6KB1CDK2ROCK1MKNK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429604-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-09-30 | — | — | US | disclosed |
| EP-1773775-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-12 | — | — | US | disclosed |
| WO-2005123680-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060009455-A1 | especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; | F12, F11, F2 | ROCK2 1857/4885F11 2/4885MAPK1 1393/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.