Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1A | O00555 | 1/20 | 0.62 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.62 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.62 |
| ▸ | ACE | P12821 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742878 | 1.00 | CACNA1A (0.62) | CACNA1ACACNA2D1CACNB1CACNA1CACE | |
| SCHEMBL6437724 | 0.91 | CACNA2D1 (0.65) | CACNA1ACACNA2D1CACNB1CACNA1CTDP1 | |
| SCHEMBL6437726 | 0.91 | CACNA2D1 (0.65) | CACNA1ACACNA2D1CACNB1CACNA1CTDP1 | |
| SCHEMBL9501764 | 0.87 | ACE (0.55) | ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL10334052 | 0.83 | CACNA1A (0.48) | CACNA1ACACNA2D1CACNB1CACNA1CTDP1 | |
| SCHEMBL10333499 | 0.81 | TDP1 (0.50) | CACNA1ACACNA2D1CACNB1CACNA1CSMN1; SMN2 | |
| SCHEMBL11457020 | 0.80 | ACE (0.53) | ACE | |
| SCHEMBL11561579 | 0.80 | LTA4H (0.64) | ACELTA4H | |
| SCHEMBL11158993 | 0.80 | ACE (0.53) | ACE | |
| SCHEMBL11544334 | 0.79 | ACE (0.58) | ACEALDH1A1SMN1; SMN2LTA4H |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | claimed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | claimed |
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| 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-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | 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 |
| EP-0820287-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-03-27 | — | — | EP | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | WO | 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 |
| EP-0820287-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0820287-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1998-01-28 | — | — | EP | disclosed |
| US-5629324-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1997-05-13 | — | — | US | disclosed |
| WO-1996032110-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1996-10-17 | — | — | 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 (2 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-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | CACNA1A 1919/4885CACNA2D1 3114/4885CACNB1 1637/4885 |
| US-20030130270-A1 | Heterocyclic derivatives and their use as antithrombotic agents | F2, F12, VKORC1 | CACNA1A 81/4885CACNA2D1 1951/4885CACNB1 1439/4885 |
“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.