Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9953442 | 0.81 | KCNA5 (0.53) | LMNAPOLBHPGDALDH1A1CYP1A2 | |
| SCHEMBL10153604 | 0.81 | KCNA5 (0.47) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL10153968 | 0.79 | FAAH (0.39) | LMNAALDH1A1KMT2A | |
| SCHEMBL9958705 | 0.79 | HDAC4 (0.62) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL10153609 | 0.79 | MEN1 (0.47) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL31653962 | 0.79 | MEN1 (0.47) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL9958620 | 0.79 | DRD2 (0.44) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL10153314 | 0.79 | KMT2A (0.54) | ALDH1A1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL19380274 | 0.78 | HDAC4 (0.44) | LMNAHDAC3HDAC4HDAC7HDAC8 | |
| SCHEMBL10153707 | 0.78 | KMT2A (0.55) | LMNAALDH1A1KMT2ADRD2DRD4 |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |