Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12427603 | 1.00 | KEAP1 (0.52) | KEAP1PDPK1MAPTRAB9AKDM4E | |
| SCHEMBL4751118 | 1.00 | KEAP1 (0.52) | KEAP1PDPK1MAPTRAB9AKDM4E | |
| SCHEMBL2300206 | 0.82 | KEAP1 (0.35) | KEAP1PDPK1MAPTRAB9AKDM4E | |
| SCHEMBL2300204 | 0.82 | KEAP1 (0.35) | KEAP1PDPK1MAPTRAB9AKDM4E | |
| SCHEMBL2300821 | 0.81 | PLK4 (0.51) | MAPTRAB9AKDM4ENPSR1KMT2A | |
| SCHEMBL2300819 | 0.81 | PLK4 (0.51) | MAPTRAB9AKDM4ENPSR1KMT2A | |
| SCHEMBL12427604 | 0.79 | KEAP1 (0.49) | KEAP1PDPK1MAPTRAB9AKDM4E | |
| SCHEMBL9142579 | 0.77 | KEAP1 (0.69) | KEAP1PDPK1MAPTRAB9AGRM5 | |
| SCHEMBL2300843 | 0.77 | CYP2D6 (0.43) | KEAP1MAPTRAB9AGRM5NPC1 | |
| SCHEMBL12427131 | 0.77 | CYP2D6 (0.43) | KEAP1MAPTRAB9AGRM5NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1960355-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007062996-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |