Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11257094 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| SCHEMBL11249038 | 0.91 | CYP3A4 (0.48) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| SCHEMBL11249033 | 0.91 | CYP3A4 (0.48) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| Tiotidine SCHEMBL9334802 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| Tiotidine SCHEMBL10425944 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| SCHEMBL11254232 | 0.88 | HRH2 (0.45) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| SCHEMBL11242827 | 0.88 | HRH2 (0.45) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| Hydrochloric Acid SCHEMBL11261618 | 0.87 | HRH2 (0.44) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| Hydrochloric Acid SCHEMBL11261622 | 0.87 | HRH2 (0.44) | CYP3A4CYP2D6MAPTHRH2ACHE | |
| Tiotidine SCHEMBL11253090 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2D6MAPTHRH2ACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4165378-A | ANTISECRETORY, ANTIHISTAMINE | ICI AMERICAS INC. (US) | 1979-08-21 | — | — | US | claimed |
| US-4347370-A | HISTAMINE H-2 ANTAGONISTS, INHIBIT GASTRIC ACID SECRETION | IMPERIAL CHEMICAL INDUSTRIES LTD. (GB) | 1982-08-31 | — | — | US | disclosed |
| US-4262126-A | INHIBIT SECRETION OF GASTRIC JUICE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-14 | — | — | US | disclosed |
| US-4165378-A | ANTISECRETORY, ANTIHISTAMINE | ICI AMERICAS INC. (US) | 1979-08-21 | — | — | US | disclosed |