Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 4/20 | 0.36 |
| ▸ | NOS2 | P35228 | 4/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31751110 | 0.86 | CYP2A6 (0.38) | CYP2A6ROCK1LOXL2ASIC3HRH3 | |
| SCHEMBL31269801 | 0.80 | ROCK1 (0.34) | CYP2A6ROCK1TLR8NOS3NOS2 | |
| SCHEMBL8267510 | 0.74 | NOS2 (0.41) | ROCK1TLR8NOS3NOS2F12 | |
| SCHEMBL31750903 | 0.73 | CYP2A6 (0.41) | CYP2A6LOXL2ASIC3 | |
| SCHEMBL6436332 | 0.71 | CYP2A6 (0.49) | CYP2A6ROCK1LOXL2ASIC3TLR8 | |
| SCHEMBL29481446 | 0.71 | CYP2A6 (0.49) | CYP2A6ROCK1LOXL2ASIC3TLR8 | |
| Hydrochloric Acid SCHEMBL31751345 | 0.70 | CYP2A6 (0.40) | CYP2A6LOXL2ASIC3CA2 | |
| Hydrochloric Acid SCHEMBL6449792 | 0.70 | CYP2A6 (0.47) | CYP2A6ROCK1LOXL2ASIC3TLR8 | |
| SCHEMBL25282439 | 0.67 | LOXL2 (0.38) | CYP2A6LOXL2ASIC3LOXLOXL3 | |
| SCHEMBL31751263 | 0.66 | CYP2A6 (0.50) | CYP2A6LOXL2ASIC3CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505062-A1 | Heterocyclic derivatives and their use as antithrombotic agents | Akzo Nobel N.V. (NL) | 2005-02-09 | — | — | EP | disclosed |
| US-6797710-B2 | CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY | AKZO NOBEL N.V. (NL) | 2004-09-28 | — | — | US | disclosed |
| US-20030130270-A1 | Heterocyclic derivatives and their use as antithrombotic agents | MERCK SHARP & DOHME B.V. (NL) | 2003-07-10 | — | — | US | disclosed |
| US-6444672-B1 | ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR | AKZO NOBEL N.V. (NL) | 2002-09-03 | — | — | US | disclosed |
| US-6432955-B1 | ANTICOAGULANTS | AKZO NOBEL N.V. (NL) | 2002-08-13 | — | — | US | disclosed |
| US-6194409-B1 | SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH | AKZO NOBEL N.V. (NL) | 2001-02-27 | — | — | US | disclosed |
| EP-0975600-A1 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS | Akzo Nobel N.V. (NL) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998047876-A1 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS | AKZO NOBEL N.V. (NL) | 1998-10-29 | — | — | 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-20030130270-A1 | Heterocyclic derivatives and their use as antithrombotic agents | F2, F12, VKORC1 | CYP2A6 59/4885ROCK1 1266/4885LOXL2 2126/4885 |
“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.