Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 7/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6958590 | 0.78 | PLK1 (1.00) | PLK1HDAC2HDAC6HDAC8TRPV1 | |
| SCHEMBL3085168 | 0.78 | ALDH1A1 (0.49) | TRPV1HPGDHTTSMN1; SMN2BDKRB2 | |
| SCHEMBL4769427 | 0.78 | PLK1 (0.58) | PLK1HDAC2HDAC6HDAC8CA12 | |
| SCHEMBL15717286 | 0.76 | PLK1 (0.63) | PLK1HDAC2HDAC6HDAC8EPHX2 | |
| SCHEMBL14969347 | 0.76 | PLK1 (0.87) | PLK1 | |
| SCHEMBL3092478 | 0.75 | ALDH1A1 (0.49) | TRPV1HPGDHTTSMN1; SMN2BDKRB2 | |
| SCHEMBL8246095 | 0.74 | PLK1 (1.00) | PLK1HDAC2HDAC6HDAC8EPHX2 | |
| SCHEMBL1121661 | 0.74 | PLK1 (1.00) | PLK1HDAC2HDAC6HDAC8EPHX2 | |
| SCHEMBL14025527 | 0.73 | PLK1 (0.76) | PLK1HDAC2HDAC6HDAC8EPHX2 | |
| SCHEMBL20915394 | 0.73 | CA2 (0.46) | SMN1; SMN2CA2 |
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-105164124-A | Compounds and compositions for treating parasitic diseases | NOVARTIS AG | 2015-12-16 | — | — | CN | disclosed |