Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.52 |
| ▸ | DRD3 | P35462 | 4/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.52 |
| ▸ | DRD4 | P21917 | 3/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL807308 | 0.81 | CYP2D6 (0.47) | CYP2D6CYP3A4HIF1ASIGMAR1DRD3 | |
| SCHEMBL3276408 | 0.81 | CYP2D6 (0.51) | CYP2D6CYP3A4HIF1ASIGMAR1DRD3 | |
| SCHEMBL807310 | 0.80 | CYP2D6 (0.48) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL6436620 | 0.80 | CYP2D6 (0.51) | CYP2D6SIGMAR1TMEM97DRD4HTR1A | |
| SCHEMBL3693352 | 0.78 | SIGMAR1 (0.75) | SIGMAR1DRD3TMEM97DRD4HTR1A | |
| SCHEMBL807148 | 0.78 | CYP2D6 (0.49) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL8111319 | 0.78 | ACHE (0.66) | ACHE | |
| SCHEMBL14023200 | 0.78 | ALDH1A1 (0.53) | CYP2D6CYP3A4HIF1ASMN1; SMN2ACHE | |
| SCHEMBL4788136 | 0.78 | DRD2 (0.51) | CYP2D6CYP3A4HIF1ASIGMAR1DRD3 | |
| SCHEMBL23643702 | 0.77 | SIGMAR1 (0.48) | CYP2D6SIGMAR1DRD3DRD4HTR1A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037105-A1 | METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012019071-A1 | METHODS OF PREVENTING AND TREATING SARCOPENIA | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2012019076-A1 | COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2008144483-A2 | AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS | ARMGO PHARMA, INC. (US) | 2008-11-27 | — | — | WO | disclosed |
| WO-2008144483-A2 | AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS | ARMGO PHARMA, INC. (US) | 2008-11-27 | — | — | WO | 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-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 | CYP2D6 31/4885CYP3A4 62/4885HIF1A 517/4885 |
“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.