Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9172014 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL1648784 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL80985 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL21839329 | 0.70 | KCNN4 (0.60) | ALDH1A1HSD17B10CYP1A2KCNN4MAPK1 | |
| SCHEMBL16738043 | 0.69 | FFAR1 (0.49) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3739909 | 0.68 | ALDH1A1 (0.86) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL182655 | 0.68 | ALDH1A1 (0.86) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL29386674 | 0.68 | ALDH1A1 (0.86) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL11802411 | 0.68 | ALDH1A1 (0.67) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL11466814 | 0.67 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |