Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11474896 | 0.76 | SIRT2 (0.38) | SIRT2NR3C2AURKARPS6KB1AURKB | |
| SCHEMBL11544982 | 0.75 | TSHR (0.40) | HDAC1KMT2ASTAT6 | |
| SCHEMBL11545003 | 0.74 | TSHR (0.40) | ALDH1A1MAPK1MEN1CYP1A2CYP2C19 | |
| SCHEMBL11038617 | 0.73 | NPBWR1 (0.49) | SIRT2AURKARPS6KB1AURKBSCD | |
| SCHEMBL16014599 | 0.73 | TSHR (0.53) | SIRT2AURKARPS6KB1AURKBSCD | |
| SCHEMBL11544871 | 0.72 | PARP1 (0.39) | CYP3A4ALDH1A1MEN1CYP1A2CYP2C19 | |
| SCHEMBL11545794 | 0.72 | NEK2 (0.35) | AURKAAURKBCYP3A4PLK1ALDH1A1 | |
| SCHEMBL11545754 | 0.70 | TSHR (0.35) | JAK2JAK3CYP3A4ALDH1A1KMT2A | |
| SCHEMBL11545682 | 0.69 | TSHR (0.36) | CYP3A4ALDH1A1KDM4E | |
| SCHEMBL5202849 | 0.67 | MAPT (0.41) | CYP3A4ALDH1A1MEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4145554-A | BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES | ELI LILLY AND COMPANY (US) | 1979-03-20 | — | — | US | disclosed |