Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 7/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11605798 | 0.98 | HRH1 (0.47) | HRH1CYP2A6MAOATAAR1SYK | |
| SCHEMBL11319871 | 0.81 | NPC1 (0.34) | HRH1CYP2A6CXCR4NPC1RAB9A | |
| SCHEMBL436325 | 0.81 | NPC1 (0.34) | HRH1CYP2A6CXCR4NPC1RAB9A | |
| SCHEMBL4625922 | 0.81 | TDP1 (0.49) | NPC1RAB9A | |
| SCHEMBL1469935 | 0.80 | TDP1 (0.47) | NPC1RAB9A | |
| SCHEMBL28676139 | 0.80 | TDP1 (0.47) | NPC1RAB9A | |
| SCHEMBL28667999 | 0.80 | TDP1 (0.47) | NPC1RAB9A | |
| SCHEMBL29467768 | 0.80 | TDP1 (0.47) | NPC1RAB9A | |
| SCHEMBL9143648 | 0.80 | TDP1 (0.47) | NPC1RAB9A | |
| SCHEMBL28680286 | 0.80 | TDP1 (0.47) | NPC1RAB9A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4438127-A | AMIDOFORMIC AND AMIDOSULFONIC ACID HISTAMINE H2 ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-03-20 | — | — | US | disclosed |
| US-4395419-A | ANTIHISTAMINE, ANTISECRETORY AGENT | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-07-26 | — | — | US | disclosed |
| EP-0017680-B1 | PYRIMIDONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-04-21 | — | — | EP | disclosed |
| US-4308275-A | ANTIGASTRIC ACID SECRETION, HISTAMINE RECEPTOR ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-12-29 | — | — | US | disclosed |
| US-4255428-A | ANTIINFLAMMATORY AGENTS, HISTAMINE BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-03-10 | — | — | US | disclosed |
| EP-0017680-A1 | Pyrimidone derivatives, process for preparing them and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-10-29 | — | — | EP | disclosed |
| US-4220767-A | HISTAMINE ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-09-02 | — | — | US | disclosed |
| US-4216318-A | HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-08-05 | — | — | US | disclosed |
| US-4189488-A | ANTIHISTAMINES AND GASTRIC ANTISECRETORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-02-19 | — | — | US | disclosed |
| US-4185103-A | ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-01-22 | — | — | US | disclosed |
| US-4154834-A | HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-15 | — | — | US | disclosed |
| US-4118502-A | ANTIHISTAMINE | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-03 | — | — | US | disclosed |
| US-4067984-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1978-01-10 | — | — | US | disclosed |