Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14940045 | 0.94 | HTR6 (0.38) | ALDH1A1GAAHTR6KDM4ENPSR1 | |
| SCHEMBL14940207 | 0.94 | ALDH1A1 (0.46) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14939129 | 0.90 | NPSR1 (0.46) | ALDH1A1KMT2AMEN1MAPK1NPSR1 | |
| SCHEMBL14938926 | 0.88 | NPSR1 (0.38) | ALDH1A1GAAHTR6KMT2AMEN1 | |
| SCHEMBL14939079 | 0.85 | ALDH1A1 (0.49) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14939288 | 0.85 | KMT2A (0.40) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14938821 | 0.85 | DRD2 (0.35) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14939949 | 0.84 | TP53 (0.41) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14939212 | 0.84 | ALDH1A1 (0.37) | ALDH1A1GAAHTR6KMT2AKDM4E | |
| SCHEMBL14939844 | 0.83 | NPSR1 (0.45) | ALDH1A1KMT2AKDM4EMEN1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |