Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.49 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7164574 | 0.93 | CYP24A1 (0.55) | CYP24A1CYP26A1CYP27A1CYP19A1HDAC8 | |
| SCHEMBL7164822 | 0.91 | HDAC8 (0.44) | CYP26A1HDAC8HDAC1HDAC3HDAC2 | |
| SCHEMBL7228543 | 0.85 | CYP19A1 (0.53) | CYP24A1CYP26A1CYP19A1HDAC8HDAC1 | |
| SCHEMBL7166421 | 0.82 | CYP24A1 (0.61) | CYP24A1CYP26A1CYP27A1CYP19A1ACHE | |
| SCHEMBL7171258 | 0.79 | CYP26A1 (0.47) | CYP24A1CYP26A1CYP19A1 | |
| SCHEMBL7171991 | 0.79 | HDAC6 (0.51) | ACHEHDAC8HDAC1NQO2MTNR1A | |
| SCHEMBL4623118 | 0.78 | CYP24A1 (0.63) | CYP24A1CYP26A1CYP27A1CYP19A1ACHE | |
| SCHEMBL7167104 | 0.78 | CYP24A1 (0.55) | CYP24A1CYP26A1CYP27A1CYP19A1ACHE | |
| SCHEMBL7163249 | 0.76 | HDAC1 (0.50) | CYP19A1HDAC8HDAC1HDAC3HDAC2 | |
| SCHEMBL4621209 | 0.76 | CYP24A1 (0.65) | CYP24A1CYP26A1CYP27A1CYP19A1ACHE |
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-1349830-A1 | TETRALONE DERIVATIVES AS ANTITUMOR AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-10-08 | — | — | EP | claimed |
| WO-2002046144-A1 | TETRALONE DERIVATIVES AS ANTITUMOR AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-13 | — | — | WO | claimed |