Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | DRD2 | P14416 | 2/20 | 0.60 |
| ▸ | DRD3 | P35462 | 2/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29460214 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533902 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533897 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533988 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533923 | 0.89 | KDM4E (0.59) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL24614023 | 0.84 | KDM4E (0.60) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL24614027 | 0.84 | KDM4E (0.60) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL24614046 | 0.83 | KDM4E (0.65) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533909 | 0.83 | KDM4E (0.58) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 | |
| SCHEMBL22533925 | 0.83 | KDM4E (0.58) | KDM4EALDH1A1AKR1C3HSD17B10DRD2 |
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-3953350-A1 | D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF | The United States of America, as Represented by The Department of Health and Human Services (US) | 2022-02-16 | — | — | EP | disclosed |