Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 | P42262 | 1/20 | 0.50 |
| ▸ | HPGDS | O60760 | 4/20 | 0.45 |
| ▸ | F11 | P03951 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | 0.89 | F11 (0.47) | F11CYP19A1SLC6A2TAAR1MAOA | |
| SCHEMBL4804899 | 0.85 | MAOA (0.46) | F11CYP17A1CYP3A4CYP19A1CYP11B1 | |
| SCHEMBL4797888 | 0.82 | GPR142 (0.41) | F11SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL4799486 | 0.78 | CYP17A1 (0.49) | F11CYP17A1CYP11B1CYP11B2CYP2C9 | |
| SCHEMBL4804375 | 0.77 | ROCK2 (0.39) | F11SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL4806392 | 0.76 | F11 (0.51) | F11 | |
| SCHEMBL1196730 | 0.74 | PNMT (0.45) | CYP3A4SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL14063529 | 0.73 | HSD17B1 (0.48) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1196058 | 0.73 | F11 (0.62) | F11 | |
| SCHEMBL4798617 | 0.73 | F11 (0.57) | F11 |
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-7429604-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-09-30 | — | — | US | 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 |
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 | GRIA2 3397/4885HPGDS 959/4885F11 2/4885 |
“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.