Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 11/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ATP4B | P51164 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9777094 | 0.82 | QPCT (0.48) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL11372646 | 0.80 | QPCT (0.47) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL10564978 | 0.80 | QPCT (0.47) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL9821764 | 0.80 | QPCT (0.47) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL9435604 | 0.80 | QPCT (0.47) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL10564976 | 0.80 | QPCT (0.47) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL11527371 | 0.77 | QPCT (0.51) | QPCTHRH4CYP3A4CYP2D6LMNA | |
| SCHEMBL25385388 | 0.77 | — | — | |
| SCHEMBL11477577 | 0.77 | — | — | |
| SCHEMBL11467205 | 0.76 | HRH4 (0.51) | QPCTHRH4CYP3A4CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0279161-B1 | A process for the preparation of cimetidine | LEK TOVARNA FARMACEVTSKIH (SI) | 1994-01-05 | — | — | EP | disclosed |
| US-4855439-A | Process for the preparation of cimetidine | LEK (YU) | 1989-08-08 | — | — | US | disclosed |
| US-4560764-A | Synthesis of an imidazolyl isothiourea | FUJIMOTO PHARMACEUTICAL CORPORATION (JP) | 1985-12-24 | — | — | US | disclosed |
| US-4520201-A | Synthesis of cimetidine and analogs thereof | FUJIMOTO PHARMACEUTICAL CORP. (JP) | 1985-05-28 | — | — | US | disclosed |
| US-4468518-A | Imidazole guanidine compounds and method of making same | FUJIMOTO PHARMACEUTICAL CORPORATION (JP) | 1984-08-28 | — | — | US | disclosed |