Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12907953 | 0.76 | SCN9A (0.61) | SCN9AMAPTNPC1RAB9AKDM4E | |
| SCHEMBL9980597 | 0.71 | ALDH1A1 (0.53) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11890089 | 0.66 | NPC1 (0.49) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL6861398 | 0.66 | TLR8 (0.50) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL28235655 | 0.65 | PARP1 (0.53) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| Lithium SCHEMBL31133404 | 0.65 | SCN9A (0.46) | SCN9AMAPTNPC1RAB9AKDM4E | |
| SCHEMBL7444775 | 0.64 | SCN9A (0.63) | SCN9AMAPTKDM4EMAPK1PARP1 | |
| SCHEMBL31460615 | 0.64 | ALDH1A1 (0.60) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL16699728 | 0.64 | ALDH1A1 (0.44) | SCN9AMAPTNPC1RAB9AKDM4E | |
| SCHEMBL4553234 | 0.64 | PTGS2 (0.48) | MAPK1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |