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 | 2/20 | 0.64 |
| ▸ | SLC47A1 | Q96FL8 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ATP4A | P20648 | 1/20 | 0.64 |
| ▸ | APEX1 | P27695 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | ATP4B | P51164 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.64 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.64 |
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 SCHEMBL11156749 | 1.00 | SLC47A1 (0.64) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Cimetidine SCHEMBL534521 | 0.99 | SLC47A1 (0.65) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Cimetidine SCHEMBL5999907 | 0.99 | SLC47A1 (0.65) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Cimetidine SCHEMBL10855579 | 0.99 | SLC47A1 (0.65) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Cimetidine SCHEMBL534522 | 0.99 | SLC47A1 (0.65) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| SCHEMBL10338624 | 0.93 | SLC47A1 (0.69) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| SCHEMBL11527648 | 0.92 | HRH2 (0.63) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| SCHEMBL11527651 | 0.92 | HRH2 (0.63) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Hydrochloric Acid SCHEMBL11381228 | 0.89 | L3MBTL1 (0.57) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 | |
| Cimetidine SCHEMBL11074155 | 0.89 | HRH2 (0.68) | SLC47A1HRH2SMN1; SMN2MEN1SLC22A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58152868-A | — | — | None | — | — | JP | disclosed |
| JP-S58152868-A | POLYMORPHIC CRYSTAL OF CIMETIDINE HYDROCHLORIDE AND ITS PREPARATION | FUJIMOTO SEIYAKU KK | 1983-09-10 | — | — | JP | disclosed |