Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18138028 | 0.85 | CYP2D6 (0.57) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| SCHEMBL14174779 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| SCHEMBL19291460 | 0.82 | CHRNB2 (0.53) | CHRNB2CHRNA4ACHEPYCR1 | |
| SCHEMBL12772084 | 0.82 | TAAR1 (0.48) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| SCHEMBL12857 | 0.81 | ALDH1A1 (0.56) | CYP2D6CYP2C9CYP2C19RECQLCHRNB2 | |
| SCHEMBL18378603 | 0.81 | CYP2D6 (0.57) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| SCHEMBL19496866 | 0.80 | NMT1 (0.46) | CHRNB2CHRNA4TAAR1 | |
| SCHEMBL14548624 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| Hydrochloric Acid SCHEMBL28584835 | 0.80 | IDO1 (0.48) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 | |
| SCHEMBL8900482 | 0.79 | CARM1 (0.65) | CYP2D6CYP2C9CYP2C19RECQLTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021214315-A1 | PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2021-10-28 | — | — | WO | disclosed |
| EP-2664619-B1 | Purine derivatives as tools for screening anti-Alzheimer compounds | MANROS THERAPEUTICS (FR) | 2017-07-12 | — | — | EP | disclosed |
| US-9099653-B2 | Electroactive materials | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-08-04 | — | — | US | disclosed |
| US-20110281837-A1 | 3-SUBSTITUTED-6-ARYL PYRIDINES | HUTCHINSON ALAN J (US) | 2011-11-17 | — | — | US | disclosed |
| US-7863454-B2 | 3-substituted-6-aryl pyridines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2011-01-04 | — | — | US | disclosed |
| US-20100187506-A1 | ELECTROACTIVE MATERIALS | LG CHEM, LTD. (KR) | 2010-07-29 | — | — | US | disclosed |
| US-20090176980-A1 | 3-Substituted-6-Aryl Pyridines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2009-07-09 | — | — | US | disclosed |
| US-7342115-B2 | Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology | NEUROGEN CORPORATION (US) | 2008-03-11 | — | — | 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 (3 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-20110281837-A1 | 3-SUBSTITUTED-6-ARYL PYRIDINES | C3AR1, C5AR1, C5AR2 | CYP2D6 692/4885CYP2C9 472/4885CYP2C19 516/4885 |
| US-20090176980-A1 | 3-Substituted-6-Aryl Pyridines | C3AR1, C5AR1, C5AR2 | CYP2D6 692/4885CYP2C9 472/4885CYP2C19 516/4885 |
| US-20100187506-A1 | ELECTROACTIVE MATERIALS | ARL1, ITGA1, ITGB1 | CYP2D6 1892/4885CYP2C9 1998/4885CYP2C19 1939/4885 |
“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.