Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.51 |
| ▸ | STK39 | Q9UEW8 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | BAX | Q07812 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991958 | 0.91 | HSP90AA1 (0.50) | KMOSTK39POLBHSP90AA1 | |
| SCHEMBL29883084 | 0.88 | BTK (0.54) | KMOSTK39POLBAKR1C3BTK | |
| SCHEMBL17870007 | 0.88 | POLB (0.57) | KMOSTK39POLBAKR1C3PARP10 | |
| SCHEMBL4429793 | 0.86 | POLB (0.44) | KMOSTK39POLBPARP10HSP90AA1 | |
| SCHEMBL28949679 | 0.85 | KMO (0.50) | KMOSTK39POLBAKR1C3BTK | |
| SCHEMBL28319259 | 0.85 | PPARA (0.47) | HSP90AA1 | |
| SCHEMBL28039268 | 0.85 | PARP10 (0.56) | KMOSTK39POLBAKR1C3BTK | |
| SCHEMBL27874063 | 0.83 | POLB (0.60) | KMOSTK39POLBAKR1C3BTK | |
| SCHEMBL9243809 | 0.83 | POLB (0.47) | POLBAKR1C3PARP10SRD5A2HDAC8 | |
| SCHEMBL18756750 | 0.82 | XDH (0.51) | KMOSTK39POLBAKR1C3BTK |
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-107074788-A | Substituted heterocyclic derivatives, preparation method and application thereof | 厦门大学 | 2017-08-18 | — | — | CN | disclosed |