Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17384066 | 0.86 | HTR6 (0.42) | CYP19A1POLBHTR6TBXAS1 | |
| SCHEMBL17384065 | 0.85 | HTR6 (0.44) | CYP19A1POLBCYP1A2HTR6TBXAS1 | |
| SCHEMBL17384063 | 0.81 | CYP19A1 (0.40) | CYP19A1POLBHTR6TBXAS1 | |
| SCHEMBL17384023 | 0.79 | CYP19A1 (0.45) | CYP19A1POLBLMNATBXAS1 | |
| SCHEMBL17372151 | 0.78 | CYP19A1 (0.44) | CYP19A1POLBHTR6LMNATBXAS1 | |
| SCHEMBL17371737 | 0.78 | CYP19A1 (0.47) | CYP19A1POLBHDAC10HDAC6HTR6 | |
| SCHEMBL17371898 | 0.78 | CYP19A1 (0.44) | CYP19A1POLBHTR6LMNATBXAS1 | |
| SCHEMBL17371997 | 0.77 | CYP19A1 (0.43) | CYP19A1POLBHTR6LMNATBXAS1 | |
| SCHEMBL17371957 | 0.76 | CYP19A1 (0.45) | CYP19A1POLBPDE10AHTR6LMNA | |
| SCHEMBL6352429 | 0.76 | AKR1B1 (0.43) | AKR1B1HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015192343-A1 | P53 ACTIVATOR SMALL MOLECULES | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2015-12-23 | — | — | WO | disclosed |
| WO-2015192343-A1 | P53 ACTIVATOR SMALL MOLECULES | GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) | 2015-12-23 | — | — | WO | disclosed |