Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.46 |
| ▸ | RXRA | P19793 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14242848 | 0.85 | ALDH1A1 (0.58) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL12615992 | 0.78 | ALDH1A1 (0.68) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL24427485 | 0.75 | NOTUM (0.45) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL30538055 | 0.74 | KEAP1 (0.50) | NOTUMRXRAGRIN1GRIN2B | |
| SCHEMBL23118864 | 0.73 | NOTUM (0.40) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL28544293 | 0.71 | MAPT (0.44) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL30538087 | 0.71 | RXRA (0.40) | NOTUMRXRAGRIN1GRIN2B | |
| SCHEMBL11146019 | 0.70 | ALDH1A1 (0.54) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL18378771 | 0.70 | ALDH1A1 (0.54) | ALDH1A1NPSR1KMT2AKDM4ENOTUM | |
| SCHEMBL15879736 | 0.70 | ALDH1A1 (1.00) | ALDH1A1NPSR1KMT2AKDM4ENOTUM |
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-2006086229-A1 | THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2006-08-17 | — | — | WO | claimed |