Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29223852 | 0.74 | WDR5 (0.59) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL20976791 | 0.73 | MYC (0.46) | HPGDALDH1A1LMNAKDM4ETSHR | |
| SCHEMBL20976770 | 0.71 | ALDH1A1 (0.45) | NR4A1NR4A2NR4A3PTPN1HPGD | |
| SCHEMBL11877088 | 0.71 | WDR5 (0.54) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL14150716 | 0.71 | WDR5 (0.54) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL21863298 | 0.70 | HTT (0.45) | CDC25BHPGDALDH1A1KDM4EGAA | |
| SCHEMBL31712900 | 0.69 | WDR5 (0.61) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL20496333 | 0.69 | WDR5 (0.61) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL599947 | 0.69 | WDR5 (0.61) | WDR5LDHANR4A1NR4A2NR4A3 | |
| SCHEMBL7535670 | 0.69 | WDR5 (0.51) | WDR5LDHANR4A1NR4A2NR4A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3093291-B1 | DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-05-08 | — | — | EP | disclosed |