Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035585 | 0.86 | HSP90AA1 (0.41) | HSP90AA1THRATHRBSMN1; SMN2APP | |
| SCHEMBL8039011 | 0.80 | HSP90AA1 (0.53) | HSP90AA1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL8035939 | 0.80 | RAF1 (0.44) | HDAC1HDAC6SMN1; SMN2APPKDM4E | |
| SCHEMBL8025473 | 0.78 | HSP90AA1 (0.37) | HSP90AA1SMN1; SMN2KDM4EMEN1NPC1 | |
| SCHEMBL8025474 | 0.76 | TSHR (0.39) | HSP90AA1KDM4EMEN1NPC1MAPT | |
| SCHEMBL8044817 | 0.75 | ALDH1A1 (0.35) | THRBSCN1ASCN2ASCN3ASMN1; SMN2 | |
| SCHEMBL8035119 | 0.75 | KDM4E (0.40) | HSP90AA1SMN1; SMN2KDM4EMEN1NPC1 | |
| SCHEMBL8039016 | 0.74 | HTT (0.42) | HSP90AA1SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL8035589 | 0.72 | TRPV1 (0.41) | HSP90AA1THRBAPPKDM4ENPC1 | |
| SCHEMBL8035099 | 0.72 | TRPV1 (0.47) | TRPV1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |