Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | HRH2 | P25021 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SLC47A1 | Q96FL8 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | ATP4A | P20648 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ATP4B | P51164 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.51 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.51 |
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 SCHEMBL15316685 | 0.94 | HRH2 (0.48) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL11283011 | 0.94 | HRH2 (0.48) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11081872 | 0.91 | HRH2 (0.44) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11006349 | 0.87 | HRH2 (0.43) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11183005 | 0.86 | HRH2 (0.43) | CYP3A4CYP2D6HRH2LMNATSHR | |
| Cimetidine SCHEMBL7355222 | 0.84 | CYP3A4 (0.72) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11173932 | 0.84 | HRH2 (0.41) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11075509 | 0.82 | HRH2 (0.57) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11001853 | 0.82 | HRH2 (0.57) | CYP3A4CYP2D6HRH2LMNATSHR | |
| SCHEMBL11084201 | 0.82 | HRH2 (0.57) | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4152443-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | claimed |
| US-4499101-A | HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-02-12 | — | — | US | disclosed |
| US-4499101-A | HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-02-12 | — | — | US | disclosed |
| US-4388319-A | ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| US-4271169-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-06-02 | — | — | US | disclosed |
| US-4215125-A | H-2 HISTAMINE RECEPTOR INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-07-29 | — | — | US | disclosed |
| US-4152443-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | disclosed |
| US-4152443-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | disclosed |
| US-4112104-A | UREA, THIOUREA OR GUANIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-09-05 | — | — | US | disclosed |
| US-4025527-A | H-2 HISTAMINE RECEPTOR INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-24 | — | — | US | disclosed |
| US-4025527-A | H-2 HISTAMINE RECEPTOR INHIBITORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-24 | — | — | US | disclosed |