Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 9/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5020897 | 0.77 | HDAC3 (0.61) | NAAATRPV1HDAC3HDAC1HDAC2 | |
| SCHEMBL11367959 | 0.77 | NAAA (0.60) | NAAA | |
| SCHEMBL12505086 | 0.76 | TRPV1 (0.43) | TRPV1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12505085 | 0.76 | TRPV1 (0.53) | TRPV1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28169186 | 0.75 | MGAM (0.51) | TRPV1 | |
| SCHEMBL14357517 | 0.75 | TLR8 (0.44) | TRPV1 | |
| SCHEMBL17954341 | 0.75 | TRPV1 (0.51) | TRPV1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL531061 | 0.74 | TRPV1 (0.49) | TRPV1HDAC3HDAC1HDAC2 | |
| SCHEMBL531059 | 0.74 | HPGD (0.61) | TRPV1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL31016541 | 0.74 | AKR1C3 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | disclosed |