Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | RIPK1 | Q13546 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3761090 | 0.89 | RIPK1 (0.47) | HDAC1RIPK1ESR2NR1H2MAPK1 | |
| SCHEMBL15783749 | 0.87 | HDAC1 (0.53) | HDAC1RIPK1ESR2NR1H2KDM4E | |
| SCHEMBL12694452 | 0.85 | HDAC1 (0.54) | HDAC1RIPK1ESR2NR1H2KDM4E | |
| SCHEMBL586295 | 0.82 | HDAC1 (0.44) | HDAC1RIPK1ESR2NR1H2MAPK1 | |
| SCHEMBL586294 | 0.82 | HDAC1 (0.44) | HDAC1RIPK1ESR2NR1H2MAPK1 | |
| SCHEMBL19657617 | 0.81 | RIPK1 (0.64) | RIPK1ESR2NR1H2HPGDMAPK1 | |
| SCHEMBL31576025 | 0.80 | ESR2 (0.49) | HDAC1RIPK1ESR2NR1H2MAPK1 | |
| SCHEMBL13765601 | 0.80 | RIPK1 (0.48) | RIPK1ESR2NR1H2MAPK1USP2 | |
| SCHEMBL30405260 | 0.80 | RIPK1 (0.48) | HDAC1RIPK1ESR2NR1H2MAPK1 | |
| SCHEMBL856288 | 0.80 | RIPK1 (0.48) | HDAC1RIPK1ESR2NR1H2MAPK1 |
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-2012103008-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. (US) | 2012-08-02 | — | — | WO | disclosed |