Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.70 |
| ▸ | RAB9A | P51151 | 4/20 | 0.70 |
| ▸ | MAPT | P10636 | 6/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639135 | 0.82 | NPC1 (1.00) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL15079020 | 0.82 | NPC1 (1.00) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL7390245 | 0.82 | NPC1 (1.00) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL6964298 | 0.78 | MAPT (0.61) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL16438824 | 0.77 | HDAC3 (0.68) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL6551916 | 0.77 | RAB9A (0.80) | NPC1RAB9AMAPTHDAC1ALDH1A1 | |
| SCHEMBL400890 | 0.76 | RAB9A (0.77) | NPC1RAB9AKDM4EHDAC1ALDH1A1 | |
| SCHEMBL6966527 | 0.76 | MAPT (0.59) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL28003152 | 0.76 | MAPT (0.59) | NPC1RAB9AMAPTKDM4EHDAC1 | |
| SCHEMBL14362838 | 0.75 | HDAC3 (0.55) | NPC1RAB9AMAPTKDM4EHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104321330-A | Rhodium catalyst and process for producing amine compound | TAKEDA PHARMACEUTICAL | 2015-01-28 | — | — | CN | disclosed |