Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.30 |
| ▸ | BAZ2A | Q9UIF9 | 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 | |
|---|---|---|---|---|
| SCHEMBL20748511 | 0.86 | NOTUM (0.39) | NPC1SMYD3GAA | |
| SCHEMBL20748490 | 0.81 | ALDH1A1 (0.33) | ALDH1A1BAZ2BBAZ2A | |
| SCHEMBL20748611 | 0.73 | MEN1 (0.39) | KMT2AHTTALDH1A1GAAL3MBTL1 | |
| SCHEMBL20748481 | 0.72 | NOTUM (0.41) | BRD4NPC1SMYD3GAABAZ2B | |
| SCHEMBL20748619 | 0.71 | EGLN1 (0.35) | BRD4KMT2AHTTSMYD3ALDH1A1 | |
| SCHEMBL20748646 | 0.69 | ALDH1A1 (0.36) | KMT2AKDM4EHTTALDH1A1GAA | |
| SCHEMBL20748517 | 0.68 | — | — | |
| SCHEMBL18410439 | 0.63 | NOTUM (0.59) | BRD4NPC1DOT1LKMT2ACREBBP | |
| SCHEMBL18236154 | 0.60 | BRD4 (0.46) | BRD4NPC1DOT1LKMT2ACREBBP | |
| SCHEMBL20748631 | 0.60 | — | — |
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-2473501-B1 | COMPOUNDS AS TYROSINE KINASE MODULATORS | ALLERGAN INC (US) | 2019-02-20 | — | — | EP | disclosed |