Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | PDE4A | P27815 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2936580 | 0.94 | CHRM2 (0.50) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL6217025 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL6517157 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL11141497 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL8939409 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL6929577 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL28329947 | 0.91 | HTT (0.58) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL8397830 | 0.91 | HTT (0.63) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| Cetylpyridinium SCHEMBL2641632 | 0.86 | RAD52 (0.53) | CHRM2ADRA2AADORA3CHRM1ACHE | |
| SCHEMBL10953084 | 0.86 | HTT (0.50) | CHRM2ADRA2AADORA3CHRM1ACHE |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1299402-A4 | PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES | CHEVRON PHILLIPS CHEMICAL CO (US) | 2005-09-28 | — | — | EP | disclosed |
| EP-1299402-A1 | PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES | Philips Petroleum Company (US) | 2003-04-09 | — | — | EP | disclosed |
| EP-1149071-A4 | PROCESS FOR PRODUCING ORGANIC POLYSULFIDES | PHILLIPS PETROLEUM CO (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6441229-B1 | REACTING A SULFUR COMPOUND AND HALOGEN COMPOUND IN PRESENCE OF PHASE TRANSFER COMPOUND | PHILLIPS PETROLEUM COMPANY | 2002-08-27 | — | — | US | disclosed |
| EP-1080071-A4 | A PROCESS FOR PRODUCING AN ORGANIC TRISULFIDE COMPOUND | PHILLIPS PETROLEUM CO (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2002000671-A1 | PROCESS FOR THE PREPARATION OF HIGHER-ALKANE SULFONYL HALIDES | PHILIPS PETROLEUM COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |
| EP-1149071-A1 | PROCESS FOR PRODUCING ORGANIC POLYSULFIDES | Phillips Petroleum Company (US) | 2001-10-31 | — | — | EP | disclosed |
| EP-1080071-A1 | A PROCESS FOR PRODUCING AN ORGANIC TRISULFIDE COMPOUND | Phillips Petroleum Company (US) | 2001-03-07 | — | — | EP | disclosed |
| US-6187960-B1 | Process for producing organic polysulfide compounds | PHILLIPS PETROLEUM COMPANY | 2001-02-13 | — | — | US | disclosed |
| WO-2000043359-A1 | PROCESS FOR PRODUCING ORGANIC POLYSULFIDES | PHILLIPS PETROLEUM COMPANY (US) | 2000-07-27 | — | — | WO | disclosed |
| US-4448892-A | PALLADIUM COMPOUND, ETEROPOLYACID OR COPPER COMPONENT, SURFACTANT | PHILLIPS PETROLEUM COMPANY (US) | 1984-05-15 | — | — | US | disclosed |
| US-4434082-A | FOR OXIDATION OF OLEFINS TO KETONES USING TWO PHASE DILUENT SYSTEM | PHILLIPS PETROLEUM COMPANY (US) | 1984-02-28 | — | — | US | disclosed |
| US-4419525-A | OXIDATION OF OLEFINS TO KETONES, PALLADIUM, HETEROPOLYACID, SURFACTANT | PHILLIPS PETROLEUM COMPANY (US) | 1983-12-06 | — | — | US | disclosed |
| US-4299998-A | Preparation of ethers | PHILLIPS PETROLEUM CO. (US) | 1981-11-10 | — | — | US | disclosed |
| US-4237071-A | TO KETONES; ADDING A SURFACTANT TO THE SYSTEM TO IMPROVE CONVERSION AND SELECTIVITY | PHILLIPS PETROLEUM COMPANY (US) | 1980-12-02 | — | — | US | disclosed |
| US-4237331-A | SEPARATING ISOBUTYLENES FROM AN OLEFIN STREAM BY FORMING CARBONYL COMPOUNDS IN THE PRESENCE OF A CATALYST COMPRISING A PALLADIUM COMPONENT, A COPPER COMPONENT AND A BORIC ACID | PHILLIPS PETROLEUM COMPANY (US) | 1980-12-02 | — | — | US | disclosed |
| US-4220604-A | CONVERSION OF ISOOLEFIN TO KETONE | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-02 | — | — | US | disclosed |
| US-4203927-A | A TWO-PHASE AQUEOUS DILUENT, A CATALYST OF PALLADIUM, COPPER AND BORON COMPOUNDS, AND A SURFACTANT TO PRODUCE A CARBONYL COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1980-05-20 | — | — | US | disclosed |
| US-4152354-A | OLEFIN OXIDATION PROCESS | PHILLIPS PETROLEUM COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| EP-0000143-A1 | Olefin oxidation process | PHILLIPS PETROLEUM COMPANY (US) | 1979-01-10 | — | — | EP | disclosed |