Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27384096 | 0.97 | DNM1 (0.43) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Iodide SCHEMBL27547544 | 0.94 | DNM1 (0.41) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Iodide SCHEMBL553389 | 0.94 | DNM1 (0.45) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Iodide SCHEMBL17431663 | 0.90 | DNM1 (0.43) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| SCHEMBL29531465 | 0.90 | DNM1 (0.47) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Bromide SCHEMBL27305161 | 0.88 | DNM1 (0.46) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Water SCHEMBL27850385 | 0.88 | TSHR (0.43) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL27490899 | 0.88 | DNM1 (0.41) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Hydrogen Sulfide SCHEMBL16734975 | 0.87 | DNM1 (0.45) | DNM1OPRM1TSHRALDH1A1TDP1 | |
| Fluoride Ion SCHEMBL15738678 | 0.87 | DNM1 (0.45) | DNM1OPRM1TSHRALDH1A1TDP1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102775345-A | Preparation method of roflumilast and intermediates | TOPHARMAN SHANGHAI CO LTD | 2012-11-14 | — | — | CN | claimed |
| CN-104194461-A | Modified graphene and preparation method thereof, and water-based antistatic epoxy floor paint and preparation method thereof | JINAN SHENGQUAN GROUP SHARE HOLDING CO LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-102858727-B | Process for producing alkylene carbonate and/or alkylene glycol | MITSUBISHI CHEM CORP | 2014-09-24 | — | — | CN | disclosed |
| CN-103864608-A | Method for producing alpha-acyloxycarbonyl compound and novel alpha-acyloxycarbonyl compound | UNIV NAGOYA NAT UNIV CORP | 2014-06-18 | — | — | CN | disclosed |
| CN-103339092-A | Process for the production of ethylene glycol | SHELL INT RESEARCH | 2013-10-02 | — | — | CN | disclosed |
| CN-101910097-B | Process and reactor for the preparation of alkylene glycols | SHELL INT RESEARCH | 2013-09-18 | — | — | CN | disclosed |
| CN-103209945-A | Process for preparation of ethylene glycol | SHELL INT RESEARCH | 2013-07-17 | — | — | CN | disclosed |
| CN-103180281-A | Coproduction of acetic acid and acetic anhydride | EASTMAN CHEM CO | 2013-06-26 | — | — | CN | disclosed |
| CN-103168017-A | Process for the production of alkylene glycol | SHELL OIL CO | 2013-06-19 | — | — | CN | disclosed |
| CN-103097461-A | Polyester film, back sheet for solar cell, and solar cell module | FUJIFILM CORP | 2013-05-08 | — | — | CN | disclosed |
| CN-102834368-A | Process for producing alpha-acyloxycarbonyl compound and novel alpha-acyloxycarbonyl compound | UNIV NAGOYA NAT UNIV CORP | 2012-12-19 | — | — | CN | disclosed |
| CN-102775345-A | Preparation method of roflumilast and intermediates | TOPHARMAN SHANGHAI CO LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-102603477-A | Method for preparing ethylene glycol by ethylene carbonate method | NANJING UNIVERSITY OF TECHNOLOGY | 2012-07-25 | — | — | CN | disclosed |
| CN-101910097-A | Process for preparing alkylene glycol | SHELL INT RESEARCH | 2010-12-08 | — | — | CN | disclosed |
| CN-1787985-A | Process of removing organic halogen-containing compounds | SHELL INT RESEARCH (NL) | 2006-06-14 | — | — | CN | disclosed |
| CN-1660799-A | Retinol compounds | SUMITOMO CHEMICAL CO (JP) | 2005-08-31 | — | — | CN | disclosed |
| CN-1208316-C | Process for producing retinol and intermediate compound for producing retinol | SUMITOMO CHEMICAL CO (JP) | 2005-06-29 | — | — | CN | disclosed |
| CN-1172909-C | Tetraene derivative and its production | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-10-27 | — | — | CN | disclosed |
| CN-1356317-A | Process for producing retinol and intermediate compound for producing retinol | SUMITOMO CHEMICAL CO (JP) | 2002-07-03 | — | — | CN | disclosed |
| CN-1247864-A | Tetraene derivative and its production | SUMITOMO CHEMICAL CO (JP) | 2000-03-22 | — | — | CN | disclosed |