Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 8/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | RXRB | P28702 | 2/20 | 0.45 |
| ▸ | RXRG | P48443 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1220436 | 0.84 | NOTUM (0.72) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL5098682 | 0.82 | NOTUM (0.70) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL7903330 | 0.82 | NOTUM (0.70) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL11619073 | 0.82 | NOTUM (0.70) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL18567080 | 0.81 | NOTUM (1.00) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL11619990 | 0.81 | NOTUM (0.68) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL11621678 | 0.78 | NOTUM (0.64) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL11619196 | 0.78 | NOTUM (0.64) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL18169172 | 0.78 | RXRA (0.76) | NOTUMHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL11623726 | 0.76 | NOTUM (0.60) | NOTUMHDAC1HDAC6HDAC3HDAC4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |