Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 6/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15195458 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| SCHEMBL12036069 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2D6TSHRCYP3A4MAOB | |
| SCHEMBL15195459 | 0.80 | DPP4 (0.45) | CYP2D6CYP3A4TRPA1 | |
| SCHEMBL1833635 | 0.79 | TRPA1 (0.55) | CYP1A2TSHRMAOATRPA1PKM | |
| SCHEMBL6746625 | 0.79 | TRPA1 (0.44) | CYP1A2MAOBTRPA1PKMEPHX1 | |
| SCHEMBL9426152 | 0.78 | FDPS (0.49) | CYP1A2CYP2D6CYP3A4KDM4E | |
| SCHEMBL7395294 | 0.77 | LOXL2 (0.42) | MAOBMAOA | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.77 | TRPA1 (0.53) | CYP1A2TSHRMAOATRPA1PKM | |
| SCHEMBL9870455 | 0.76 | CA1 (0.62) | CYP1A2CYP2D6TSHRCYP3A4MAPK1 | |
| SCHEMBL10493999 | 0.76 | CA1 (0.62) | CYP1A2CYP2D6TSHRCYP3A4MAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563082-A | Magnetic resonance imaging compound, wherein mesosome, magnetic resonance imaging agent and application and magnetic resonance imaging method employing | 北京市神经外科研究所 | 2019-04-02 | — | — | CN | disclosed |
| CN-106366075-B | Pyrrolidines, salt, nuclear-magnetism probe and medicinal application, reagent, drug | 北京市神经外科研究所 | 2018-06-12 | — | — | CN | disclosed |
| CN-106366075-A | Pyrrolidine compounds, salts thereof, applications of compounds or salts thereof in nuclear magnetic probes and medicines, reagent, and medicine | 北京市神经外科研究所 | 2017-02-01 | — | — | CN | disclosed |
| US-5523495-A | REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0404077-B1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL CO (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5258529-A | Dehydrohalogenation of corresponding alkene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0404077-A1 | Process for producing propargylcarbinol compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-12-27 | — | — | EP | disclosed |