Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Vinyl Chloride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL7901044 | 0.97 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL15142746 | 0.83 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL624311 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL28046864 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL71504 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL1409549 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL1409552 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL3314443 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL64728 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Bromide SCHEMBL64729 | 0.83 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248161-B1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | HEWLETT-PACKARD COMPANY | 2001-06-19 | — | — | US | claimed |
| US-20210148567-A1 | Organic Colorant Complexes from Reactive Dyes and Articles Containing the Same | MILLIKEN & COMPANY (US) | 2021-05-20 | — | — | US | disclosed |
| US-10689801-B2 | Colored coatings and artificial leathers containing colorant complexes | Millikan & Company (US) | 2020-06-23 | — | — | US | disclosed |
| US-10612190-B2 | Colored coatings and artificial leathers | MILLIKEN & COMPANY (US) | 2020-04-07 | — | — | US | disclosed |
| US-20190153667-A1 | Colored Coatings and Artificial Leathers | MILLIKEN & COMPANY (US) | 2019-05-23 | — | — | US | disclosed |
| US-20190119501-A1 | Organic Colorant Complexes from Reactive Dyes and Articles Containing the Same | MILLIKEN & COMPANY (US) | 2019-04-25 | — | — | US | disclosed |
| US-9903069-B2 | Colored coatings and artificial leathers | MILLIKEN & COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| EP-3134493-A1 | ORGANIC COLORANT COMPLEXES FROM REACTIVE DYES AND ARTICLES CONTAINING THE SAME | Milliken & Company (US) | 2017-03-01 | — | — | EP | disclosed |
| CN-106459607-A | Organic Colorant Complexes From Reactive Dyes And Articles Containing The Same | 美利肯公司 | 2017-02-22 | — | — | CN | disclosed |
| US-20170016177-A1 | Colored Coatings and Artificial Leathers | MILLIKEN & COMPANY (US) | 2017-01-19 | — | — | US | disclosed |
| WO-2015164299-A1 | ORGANIC COLORANT COMPLEXES FROM REACTIVE DYES AND ARTICLES CONTAINING THE SAME | MILLIKEN & COMPANY (US) | 2015-10-29 | — | — | WO | disclosed |
| US-20150299942-A1 | Colored Coatings and Artificial Leathers Containing Colorant Complexes | MILLIKEN & COMPANY (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150299468-A1 | Organic Colorant Complexes from Reactive Dyes and Articles Containing the Same | MILLIKEN & COMPANY (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150299511-A1 | Colored Coatings and Artificial Leathers | MILLIKEN & COMPANY (US) | 2015-10-22 | — | — | US | disclosed |
| EP-1020498-B1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | HEWLETT PACKARD CO (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1020498-A1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | Hewlett-Packard Company (US) | 2000-07-19 | — | — | EP | disclosed |