Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | PDE2A | O00408 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | WNT3A | P56704 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28325361 | 0.95 | HDAC1 (0.60) | HDAC1HDAC8CYP1A2PDE2APDE3B | |
| SCHEMBL6263512 | 0.89 | HDAC1 (0.56) | HDAC1HDAC8CTNNB1WNT3AFFAR1 | |
| SCHEMBL18132167 | 0.83 | CYP1A2 (0.58) | HDAC1HDAC8CYP1A2PDE2APDE3B | |
| SCHEMBL14820597 | 0.79 | HDAC1 (0.71) | HDAC1HDAC8CTNNB1WNT3AHDAC2 | |
| SCHEMBL31370527 | 0.79 | HDAC1 (0.53) | HDAC1HDAC8CTNNB1WNT3AMAPT | |
| SCHEMBL14155863 | 0.79 | HDAC1 (0.71) | HDAC1HDAC8CYP1A2CTNNB1WNT3A | |
| SCHEMBL14832829 | 0.79 | HDAC1 (0.58) | HDAC1HDAC8CYP1A2PDE3BPDE3A | |
| SCHEMBL29518264 | 0.79 | MAPT (0.56) | HDAC1HDAC8CTNNB1WNT3AMAPT | |
| SCHEMBL3400912 | 0.79 | MAPT (0.56) | HDAC1HDAC8CTNNB1WNT3AMAPT | |
| SCHEMBL16632626 | 0.79 | CYP1A2 (0.74) | HDAC1HDAC8CYP1A2PDE2APDE3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024223-A | Inhibitors of viral replication | UNIV LEUVEN KATH | 2014-09-03 | — | — | CN | disclosed |