Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1150763 | 1.00 | IDO1 (0.34) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL26106019 | 0.80 | IDO1 (0.32) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL17763415 | 0.78 | CES2 (0.41) | — | |
| SCHEMBL65457 | 0.78 | CACNA2D1 (0.37) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL3136328 | 0.78 | GABBR2 (0.43) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL12860041 | 0.77 | HIF1A (0.31) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL27629443 | 0.77 | IDO1 (0.35) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL15577528 | 0.76 | HTR2A (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6221926 | 0.75 | IDO1 (0.34) | IDO1TDO2HDAC3HDAC4HDAC1 | |
| SCHEMBL31378985 | 0.75 | AOC3 (0.47) | IDO1HDAC3HDAC4HDAC1HDAC7 |
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-2018165520-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | WO | disclosed |