Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985278 | 0.89 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2285981 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19272800 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12988609 | 0.80 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4666728 | 0.80 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL264998 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL18754697 | 0.80 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2283022 | 0.79 | CYP2E1 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL21412170 | 0.78 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22199024 | 0.78 | CYP2E1 (0.62) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020233512-A1 | AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE | 成都海创药业有限公司 (CN) | 2020-11-26 | — | — | WO | disclosed |
| EP-3036228-B1 | NEW 6-ALKYNYL PYRIDINE COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-04-19 | — | — | EP | disclosed |
| EP-3036228-A1 | NEW 6-ALKYNYL PYRIDINE | Boehringer Ingelheim International GmbH (DE) | 2016-06-29 | — | — | EP | disclosed |
| US-9278978-B2 | 6-Alkynyl Pyridine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-08 | — | — | US | disclosed |
| WO-2015025019-A1 | NEW 6-ALKYNYL PYRIDINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-26 | — | — | WO | disclosed |
| US-20150057295-A1 | New 6-Alkynyl Pyridine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-02-26 | — | — | US | disclosed |
| EP-1802307-B1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LTD (GB) | 2008-02-27 | — | — | EP | disclosed |
| US-20080045506-A1 | Pyrrolidine Derivatives as Histamine Receptors Ligands | GLAXO GROUP LIMITED (GB) | 2008-02-21 | — | — | US | disclosed |
| EP-1802307-A1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006040192-A1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-04-20 | — | — | 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-20080045506-A1 | Pyrrolidine Derivatives as Histamine Receptors Ligands | HRH4, HRH3, HRH2 | CYP1A2 970/4885CYP3A4 1860/4885CYP2D6 1105/4885 |
| US-20150057295-A1 | New 6-Alkynyl Pyridine | MKI67, SMARCC1, SMARCC2 | CYP1A2 2987/4885CYP3A4 3786/4885CYP2D6 1561/4885 |
“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.