Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.76 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.74 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.74 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.74 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.74 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.74 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.74 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.74 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.74 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.74 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.74 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.74 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3030027 | 0.88 | HDAC6 (0.74) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL14894197 | 0.88 | NR1H4 (0.85) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL3024525 | 0.87 | HDAC6 (0.72) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL7322242 | 0.87 | NR1H4 (1.00) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL4153362 | 0.86 | NPC1 (0.69) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL8243848 | 0.85 | NR1H4 (0.76) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL14885209 | 0.85 | NR1H4 (0.76) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL28918342 | 0.85 | HDAC1 (0.79) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL10207296 | 0.85 | HDAC6 (1.00) | NR1H4HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL3031645 | 0.85 | MAPT (0.58) | NR1H4HDAC3HDAC1HDAC2HDAC4 |
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-3284520-B1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE CO (US) | 2019-06-05 | — | — | EP | disclosed |