Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.32 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14839431 | 0.78 | ALDH1A1 (0.41) | MEN1KMT2AALDH1A1 | |
| SCHEMBL29545188 | 0.76 | PRKD1 (0.44) | NTRK1KDM4EALDH1A1SMN1; SMN2MAPK10 | |
| SCHEMBL29545106 | 0.73 | PIK3C3 (0.42) | NTRK1GSK3ACDK9CDK5TAOK1 | |
| SCHEMBL16798235 | 0.73 | MAPK1 (0.46) | — | |
| SCHEMBL29545152 | 0.72 | KDM4E (0.34) | NTRK1GSK3ACDK9CDK5TAOK1 | |
| SCHEMBL16264725 | 0.71 | JAK2 (0.45) | GSK3ACDK9CDK5TAOK1CLK4 | |
| SCHEMBL20865890 | 0.71 | NTRK1 (0.48) | NTRK1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL16397524 | 0.68 | — | — | |
| SCHEMBL379728 | 0.68 | — | — | |
| SCHEMBL30477820 | 0.68 | — | — |
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-2022072634-A1 | BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER | SCORPION THERAPEUTICS, INC. (US) | 2022-04-07 | — | — | WO | disclosed |