Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.83 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.61 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8983627 | 1.00 | CYP2D6 (0.83) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8983562 | 1.00 | CYP2D6 (0.83) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1406105 | 0.98 | CYP2D6 (0.79) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL20191913 | 0.98 | CYP2D6 (0.79) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2631769 | 0.98 | CYP2D6 (0.79) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL10551490 | 0.96 | CYP2D6 (0.76) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| Bromide SCHEMBL28217352 | 0.96 | CYP2D6 (0.76) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL23850144 | 0.95 | CYP2D6 (0.83) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30364156 | 0.95 | CYP2D6 (0.83) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL31046801 | 0.95 | CYP2D6 (0.83) | CYP2D6MC4RCYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112441888-B | Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction | 中国科学院大连化学物理研究所 | 2021-10-26 | — | — | CN | disclosed |
| CN-112441888-A | Pd-ReOx/CeO2Method for preparing nitrogen-containing aromatic compound by catalyzing lignin ammoniation reaction | 中国科学院大连化学物理研究所 | 2021-03-05 | — | — | CN | disclosed |
| WO-2019196938-A1 | QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |
| CN-106661017-B | Bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2019-09-24 | — | — | CN | disclosed |
| WO-2017201468-A1 | BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2017-11-23 | — | — | WO | disclosed |
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |
| CN-106661017-A | novel bicyclic or tricyclic heterocyclic compounds | 田边三菱制药株式会社 | 2017-05-10 | — | — | CN | disclosed |
| EP-0809647-B1 | CHIRAL ORGANOMETALLIC COMPOUNDS | AVECIA LTD (GB) | 2003-09-10 | — | — | EP | disclosed |
| US-5929266-A | ZIRCONIUM, HAFNIUM, TITANIUM CYCLOPENTADIENE COMPOUNDS USEFUL IN ASYMMETRIC SYNTHESIS | ZENECA LIMITED (GB) | 1999-07-27 | — | — | US | disclosed |
| EP-0920425-A1 | SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1999011648-A1 | ORGANOMETALLIC COMPOUNDS, THEIR PREPARATION AND USE | ZENECA LIMITED (GB) | 1999-03-11 | — | — | WO | disclosed |
| WO-1997019074-A1 | SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-05-29 | — | — | WO | disclosed |
| US-5489682-A | Catalytic asymmetric reduction of enamines | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1996-02-06 | — | — | US | disclosed |