Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5027727 | 0.85 | CYP2A6 (0.61) | CYP2A6AHRTSHRALDH1A1CYP3A4 | |
| SCHEMBL27740071 | 0.85 | CYP2A6 (0.61) | CYP2A6AHRTSHRALDH1A1CYP3A4 | |
| SCHEMBL9244984 | 0.85 | CYP2A6 (0.54) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL5013884 | 0.85 | CYP2A6 (0.48) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL687156 | 0.83 | CYP2A6 (0.64) | CYP2A6AHRTSHRALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29200220 | 0.83 | CYP2A6 (0.52) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL4288341 | 0.79 | CYP2A6 (0.68) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL31665941 | 0.79 | CYP2A6 (0.68) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL11302716 | 0.79 | CYP2A6 (0.68) | CYP2A6TP53AHRTSHRALDH1A1 | |
| SCHEMBL11626337 | 0.79 | CYP2A6 (0.68) | CYP2A6TP53AHRTSHRALDH1A1 |
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 |