Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | MC5R | P33032 | 3/20 | 0.47 |
| ▸ | MC4R | P32245 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13086944 | 0.81 | HPRT1 (0.56) | CYP1A2CYP2A6MC5RMAPK1 | |
| SCHEMBL2838141 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL6240981 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL29560700 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL623914 | 0.76 | CYP2A6 (0.56) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL6643158 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL6008132 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL26213 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL73386 | 0.75 | CYP2A6 (1.00) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL17386480 | 0.75 | CYP1A2 (0.60) | CYP1A2CYP2A6HTR2AHTR2CHTR2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948755-B1 | EMITTING MATERIAL AND ORGANIC LIGHT EMITTING DIODE USING THE SAME | LG CHEMICAL LTD (KR) | 2012-07-18 | — | — | EP | disclosed |
| US-20120157691-A1 | Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2012-06-21 | — | — | US | disclosed |
| WO-2010118180-A1 | FABRICS COMPRISING A PHOTOCATALYST TO PRODUCE SINGLET OXYGEN FROM AMBIENT OXYGEN | LOMBARDI JOHN L (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010029950-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND AND OPTICALLY ACTIVE SULFOXIDE COMPOUND, LIGAND AND COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE COMPLEX | 日産化学工業株式会社 (JP) | 2010-03-18 | — | — | WO | disclosed |
| EP-2091942-B1 | SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE | JANSSEN PHARMACEUTICA NV (BE) | 2010-02-17 | — | — | EP | disclosed |
| US-20080275253-A1 | halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2008-11-06 | — | — | 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 (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-20080275253-A1 | halogenation with a halogen donor selected from N-bromosuccinimide, N-iodosuccinimide, N-chlorosuccinimide and N-fluorobenzene-sulfonimide, 1,3-dibromo-5,5-dimethyl imidazolidine-2,4-dione in presence of ZrCl4; bromination of tetramethylsilane | HDHD5, ZRANB2, CLIC4 | CYP1A2 2823/4885CYP2A6 3376/4885HTR2A 2926/4885 |
| US-20120157691-A1 | Lewis Acid Catalyzed Halogenation of Activated Carbon Atoms | NBAS, CA3, CA9 | CYP1A2 2508/4885CYP2A6 1193/4885HTR2A 3801/4885 |
“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.