Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10648832 | 0.73 | HTT (0.43) | HTTL3MBTL1BRD4KDM4ETSHR | |
| SCHEMBL16050671 | 0.71 | HTT (0.42) | HTTL3MBTL1KDM4ETSHRDRD4 | |
| SCHEMBL8309874 | 0.71 | HTT (0.42) | HTTL3MBTL1KDM4ETSHRDRD4 | |
| SCHEMBL10646248 | 0.71 | HTT (0.48) | HTTL3MBTL1KDM4ETSHRDRD4 | |
| SCHEMBL10518808 | 0.71 | CYP3A4 (0.61) | CYP19A1HSP90AA1TSHR | |
| SCHEMBL17159812 | 0.70 | CYP19A1 (0.80) | CYP19A1HDAC1HDAC6 | |
| SCHEMBL2917482 | 0.69 | CYP19A1 (1.00) | CYP19A1HSP90AA1HDAC1HDAC6 | |
| SCHEMBL6325384 | 0.69 | ALDH1A1 (0.50) | HTTTSHR | |
| SCHEMBL12068739 | 0.69 | HTT (0.44) | HTTL3MBTL1KDM4ETSHRDRD4 | |
| SCHEMBL15417776 | 0.69 | L3MBTL1 (0.44) | HTTL3MBTL1KDM4ETSHRDRD4 |
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-2013049591-A2 | DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | VERSEON CORPORATION (US) | 2013-04-04 | — | — | WO | disclosed |