Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.60 |
| ▸ | HRH2 | P25021 | 1/20 | 0.60 |
| ▸ | HRH1 | P35367 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 3/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL9867663 | 0.80 | HRH1 (0.78) | HRH4HRH3HRH2HRH1TDP1 | |
| SCHEMBL6678869 | 0.80 | HRH4 (0.60) | HRH4HRH3HRH2HRH1TDP1 | |
| SCHEMBL8014968 | 0.79 | — | — | |
| SCHEMBL10855808 | 0.78 | HRH1 (0.75) | HRH4HRH3HRH2HRH1TDP1 | |
| Hydrochloric Acid SCHEMBL6741572 | 0.78 | TDP1 (0.61) | HRH4HRH3HRH2HRH1TDP1 | |
| Hydrochloric Acid SCHEMBL11543895 | 0.77 | TDP1 (0.76) | HRH4HRH3HRH2HRH1TDP1 | |
| SCHEMBL6569238 | 0.75 | — | — | |
| 4-Methylhistamine SCHEMBL9456351 | 0.73 | TDP1 (1.00) | HRH4HRH3HRH2HRH1TDP1 | |
| SCHEMBL6658784 | 0.72 | HRH3 (0.56) | HRH4HRH3HRH2HRH1TDP1 | |
| SCHEMBL2830891 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0041359-B1 | PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |
| US-4443375-A | Tetrahydroimidazo(3,4-c)-1,3-diazocine intermediates for production of guanidines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-04-17 | — | — | US | disclosed |
| US-4375435-A | 3-,4-Dihydroimidazo (3,4-c)-1,3-pyrimidines and 4,5-dihydroimidazo (3,4-c)-1,3-diazepines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-03-01 | — | — | US | disclosed |
| EP-0041359-A1 | Process for the preparation of heterocyclylalkyl guanidines; intermediates and their preparation | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-12-09 | — | — | EP | disclosed |