Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | MAP2 | P11137 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27287007 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL28326311 | 0.86 | CYP1A2 (0.52) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL22512513 | 0.81 | CYP2A6 (0.50) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL1758344 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL29367682 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL28391800 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6ESR1ESR2MAP2 | |
| SCHEMBL10405354 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2A6ESR1ESR2THRB | |
| SCHEMBL4316535 | 0.75 | ESR1 (0.55) | CYP1A2ESR1ESR2ACHEKDM4E | |
| SCHEMBL28811029 | 0.74 | ESR1 (0.50) | CYP1A2CYP2A6ESR1ESR2DYRK1A | |
| SCHEMBL5470663 | 0.74 | ESR1 (0.58) | CYP1A2ESR1ESR2ACHEKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0872903-B1 | Method for making hydrogen storage alloy powder and electrode comprising the alloy powder | SHINETSU CHEMICAL CO (JP) | 2001-10-04 | — | — | EP | disclosed |
| US-6277519-B1 | QUENCHING AN ALLOY MELT; COMMINUTION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-08-21 | — | — | US | disclosed |
| US-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0872903-A1 | Method for making hydrogen storage alloy powder and electrode comprising the alloy powder | Shin-Etsu Chemical Co., Ltd. (JP) | 1998-10-21 | — | — | EP | disclosed |
| EP-0172427-B1 | PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-07-05 | — | — | EP | disclosed |
| US-4758639-A | Process for production of vinyl polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-19 | — | — | US | disclosed |
| US-4757124-A | Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-12 | — | — | US | disclosed |
| EP-0172427-A2 | Process for production of vinyl chloride polymer | Shin-Etsu Chemical Co., Ltd. (JP) | 1986-02-26 | — | — | EP | disclosed |