Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KCNA6 | P17658 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | KCNA4 | P22459 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919702 | 0.90 | NPC1 (0.37) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8920803 | 0.81 | NPC1 (0.38) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8920799 | 0.81 | NPC1 (0.38) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8919032 | 0.72 | KDM4E (0.51) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8918190 | 0.71 | P2RX7 (0.52) | NPC1KDM4EGAASMN1; SMN2KMT2A | |
| SCHEMBL7104572 | 0.70 | GAA (0.54) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8919987 | 0.70 | SMN1; SMN2 (0.55) | RAB9AKDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL8919846 | 0.70 | KDM4E (0.51) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8918534 | 0.69 | P2RX7 (0.49) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4133844 | 0.69 | NPC1 (0.42) | NPC1RAB9AKDM4EALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |