Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.44 |
| ▸ | HTR3B | O95264 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5279937 | 0.98 | NPC1 (0.44) | NPC1RAB9AALDH1A1HRH3KDM4E | |
| SCHEMBL30344655 | 0.76 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1HRH3KDM4E | |
| SCHEMBL3806773 | 0.76 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1HRH3KDM4E | |
| SCHEMBL10609919 | 0.75 | ALDH1A1 (0.49) | NPC1RAB9AALDH1A1HRH3KDM4E | |
| SCHEMBL27926914 | 0.75 | LMNA (0.52) | ALDH1A1KDM4ETDP1CYP3A4HTR2C | |
| SCHEMBL4760702 | 0.73 | NOTUM (0.40) | ALDH1A1KDM4ETDP1HSD17B10MAP3K5 | |
| SCHEMBL4448982 | 0.73 | GAA (0.49) | NPC1RAB9AALDH1A1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL5279933 | 0.72 | NOTUM (0.39) | RAB9AALDH1A1KDM4ETDP1HTT | |
| SCHEMBL24240280 | 0.72 | NOTUM (0.48) | CYP1A2HTR3AMAP3K5NOTUM | |
| Quinoline SCHEMBL27588058 | 0.71 | ALDH1A1 (0.55) | NPC1RAB9AALDH1A1KDM4ECYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917013-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007022980-A1 | USE OF AZABICYCLO HEXANE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2007-03-01 | — | — | WO | disclosed |