Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.44 |
| ▸ | PLD2 | O14939 | 2/20 | 0.43 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551983 | 0.91 | CYP1A2 (0.54) | HDAC6HDAC2HDAC8MAPTNPSR1 | |
| SCHEMBL21551975 | 0.89 | TSHR (0.59) | HDAC6HDAC2HDAC8ABL1TSHR | |
| SCHEMBL21551964 | 0.84 | TSHR (0.54) | MAPTNAMPTTSHRDRD2DRD3 | |
| SCHEMBL21551954 | 0.83 | TSHR (0.69) | MAPTTSHR | |
| SCHEMBL21551957 | 0.80 | HDAC2 (0.59) | HDAC6HDAC2HDAC8RAD52MAPT | |
| SCHEMBL21551953 | 0.79 | CYP1A2 (0.50) | MAPT | |
| SCHEMBL21551981 | 0.76 | LMNA (0.52) | HDAC6HDAC2HDAC8RAD52MAPT | |
| SCHEMBL21568402 | 0.74 | ALDH1A1 (0.52) | HDAC6HDAC2HDAC8RAD52MAPT | |
| SCHEMBL11983548 | 0.73 | HDAC2 (0.78) | HDAC6HDAC2HDAC8RAD52NPSR1 | |
| SCHEMBL21568404 | 0.72 | ALDH1A1 (0.49) | HDAC6HDAC2HDAC8PLD2PLD1 |
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-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | claimed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |