Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21835462 | 0.84 | SMN1; SMN2 (0.40) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL23850384 | 0.82 | NPC1 (0.40) | NPC1RAB9ATP53KDM4EHSD17B10 | |
| SCHEMBL21835544 | 0.78 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2PKMHPGD | |
| SCHEMBL28918768 | 0.78 | NPC1 (0.38) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL23850307 | 0.75 | RAB9A (0.36) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL30450003 | 0.75 | ATM (0.36) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL23850118 | 0.73 | TOP2A (0.33) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL31304946 | 0.73 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL25826819 | 0.73 | PPARA (0.37) | ALDH1A1 | |
| SCHEMBL15883822 | 0.72 | ALDH1A1 (0.35) | ALDH1A1NPC1RAB9ATP53KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3883573-A1 | MACROCYCLIC INHIBITORS OF DYRK1A | Dana-Farber Cancer Institute, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |