Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | BRD1 | O95696 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18229960 | 0.81 | TRPV4 (0.43) | TRPV4RAD51KDM4EALDH1A1GAA | |
| SCHEMBL21773502 | 0.80 | HSD11B1 (0.48) | TRPV4HSD11B1 | |
| SCHEMBL3782276 | 0.79 | CA1 (0.47) | TRPV4RAD51KDM4EALDH1A1GAA | |
| SCHEMBL16676516 | 0.78 | TRPV4 (0.48) | TRPV4RAD51KDM4EALDH1A1GAA | |
| SCHEMBL6405238 | 0.76 | XDH (0.37) | KDM4EALDH1A1GAAXDH | |
| SCHEMBL10127000 | 0.75 | TDP1 (0.45) | KDM4EALDH1A1CA1 | |
| SCHEMBL123288 | 0.74 | RAD51 (0.49) | TRPV4RAD51GRIA4GRIA1GRIA2 | |
| SCHEMBL14866077 | 0.74 | CYP3A4 (0.44) | TRPV4KDM4EALDH1A1GAACA1 | |
| SCHEMBL20085640 | 0.74 | NPC1 (0.42) | ALDH1A1 | |
| SCHEMBL12491217 | 0.74 | CA2 (0.39) | KDM4ECA1CA2CA9CA12 |
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-105829285-A | Quinazolinone and isoquinolinone derivatives | 中外制药株式会社 | 2016-08-03 | — | — | CN | disclosed |