Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | FES | P07332 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | MARK3 | P27448 | 1/20 | 0.51 |
| ▸ | TYK2 | P29597 | 1/20 | 0.51 |
| ▸ | FLT4 | P35916 | 1/20 | 0.51 |
| ▸ | SYK | P43405 | 1/20 | 0.51 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL10734194 | 0.93 | CHRM2 (0.75) | CHRM2CYP1A2CYP2D6CYP2A6CHRNA7 | |
| SCHEMBL15590842 | 0.91 | CHRM2 (0.78) | CHRM2CYP1A2CYP2D6CYP2A6CHRNA7 | |
| SCHEMBL11594897 | 0.89 | CHRM2 (0.93) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL12085508 | 0.89 | CHRM2 (0.69) | CHRM2CYP1A2CYP2D6CYP2A6CHRNA7 | |
| SCHEMBL29875178 | 0.88 | CYP1A2 (0.83) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL19031318 | 0.88 | CYP1A2 (0.83) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL14931588 | 0.85 | CHRM2 (0.86) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL2861457 | 0.84 | CYP1A2 (1.00) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL29761159 | 0.83 | CYP1A2 (0.74) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 | |
| SCHEMBL29870183 | 0.83 | CYP1A2 (0.74) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-20170129914-A1 | Aminosteroids for the Treatment of a PTP1B Associated Disease | OHR PHARMACEUTICAL, INC. (US) | 2017-05-11 | — | — | US | disclosed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | disclosed |
| US-20100311694-A1 | Set of Geldanamycin Derivatives and Their Preparation Methods | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2010-12-09 | — | — | US | disclosed |
| EP-2253621-A1 | A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS | Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009067233-A1 | BETA CARBOLINES AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-05-28 | — | — | WO | disclosed |
| US-6057318-A | ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER | SANOFI (FR) | 2000-05-02 | — | — | US | disclosed |
| US-5891893-A | 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES | SANOFI (FR) | 1999-04-06 | — | — | US | disclosed |
| US-5891894-A | 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES | SANOFI (FR) | 1999-04-06 | — | — | US | disclosed |
| EP-0268915-A2 | Trifluoromethylcarbonyl derivatives | BAYER AG (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0268229-A2 | Imidazolidinone compounds, processes for preparation thereof, compositions comprising such compounds, and the use of such compounds for the manufacture of medicaments having therapeutic value | TANABE SEIYAKU CO., LTD. (JP) | 1988-05-25 | — | — | EP | disclosed |
| EP-0154178-B1 | NITROMETHYLENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND INSECTICIDAL, MITICIDAL AND NEMATICIDAL AGENTS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1987-10-07 | — | — | EP | disclosed |
| EP-0230035-A2 | Omega-[(hetero)alkyl]benz[cd]indol-2-amines | AMERICAN CYANAMID COMPANY (US) | 1987-07-29 | — | — | EP | disclosed |
| US-4680294-A | Pesticidal novel nitromethylene derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1987-07-14 | — | — | US | disclosed |
| US-4647570-A | Pesticidal novel nitromethylene derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1987-03-03 | — | — | US | disclosed |
| EP-0192060-A1 | Heterocyclic compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1986-08-27 | — | — | EP | disclosed |
| US-4599336-A | BRONCHODILATOR, THROMBOXANE SYNTHETASE INHIBITOR, ANTIARRHYTHMIA | HOFFMANN-LA ROCHE INC. (US) | 1986-07-08 | — | — | US | disclosed |
| EP-0154178-A1 | Nitromethylene derivatives, method for their preparation and insecticidal, miticidal and nematicidal agents | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-09-11 | — | — | EP | disclosed |
| EP-0142057-A2 | Thiazoloquinazoline derivatives, their preparation and pharmaceutical compositions containing same | F. HOFFMANN-LA ROCHE AG (CH) | 1985-05-22 | — | — | EP | 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-20120277228-A1 | Novel Azaheterocyclic Compounds | PCNA, MCL1, MYC | CHRM2 4710/4885CYP1A2 1126/4885CYP2D6 2277/4885 |
| US-20100311694-A1 | Set of Geldanamycin Derivatives and Their Preparation Methods | HSP90AA1, HSP90AB1, HSP90B1 | CHRM2 4882/4885CYP1A2 3837/4885CYP2D6 3380/4885 |
| US-20170129914-A1 | Aminosteroids for the Treatment of a PTP1B Associated Disease | HSD17B13, PPME1, CYP27A1 | CHRM2 4718/4885CYP1A2 680/4885CYP2D6 1839/4885 |
“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.