Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cimetidine. 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 | |
|---|---|---|---|---|
| ▸ | HRH2 known ✓ | P25021 | 3/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.98 |
| ▸ | LMNA | P02545 | 2/20 | 0.98 |
| ▸ | TSHR | P16473 | 2/20 | 0.98 |
| ▸ | SLC47A1 | Q96FL8 | 2/20 | 0.98 |
| ▸ | MEN1 | O00255 | 1/20 | 0.98 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.98 |
| ▸ | GLA | P06280 | 1/20 | 0.98 |
| ▸ | ATP4A | P20648 | 1/20 | 0.98 |
| ▸ | APEX1 | P27695 | 1/20 | 0.98 |
| ▸ | PDE4A | P27815 | 1/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.98 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.98 |
| ▸ | ATP4B | P51164 | 1/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.98 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.98 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Cimetidine SCHEMBL28689625 | 1.00 | CYP3A4 (0.98) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL27501791 | 1.00 | CYP3A4 (0.98) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL1736444 | 1.00 | CYP3A4 (0.98) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL27313058 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL226031 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL534523 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL3735476 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL28681657 | 0.99 | CYP3A4 (1.00) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL28666399 | 0.98 | CYP3A4 (0.98) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL28492534 | 0.98 | CYP3A4 (0.98) | CYP3A4CYP2D6HRH2LMNATSHR |
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-20160122686-A1 | DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO-OR NANOEMULSIFICATION | DIETZ ULRICH (DE) | 2016-05-05 | — | — | US | disclosed |
| EP-2585420-B1 | METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO- OR NANOEMULSIFICATION | DIETZ ULRICH (DE) | 2016-04-06 | — | — | EP | disclosed |
| US-9127233-B2 | Device and method for solubilizing, separating, removing and reacting carboxylic acids in oils, fats, aqueous or organic solutions by means of micro-or nanoemulsification | Dietz, Ulrich (DE) | 2015-09-08 | — | — | US | disclosed |
| US-20130090488-A1 | DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO-OR NANOEMULSIFICATION | DIETZ ULRICH (DE) | 2013-04-11 | — | — | US | disclosed |
| EP-2399885-A1 | Device and method for solubilizing, separating, removing and reacting carboxylic acids in aqueous or organic solutions by means of micro- or nanoemulsification | Dietz, Ulrich (DE) | 2011-12-28 | — | — | EP | disclosed |