Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESRRA | P11474 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17850414 | 0.78 | HPGD (0.40) | ALDH1A1GAAIDO1TDO2HPGD | |
| SCHEMBL10194984 | 0.78 | CDC7 (0.44) | DRD2DRD4DRD3ALDH1A1PKM | |
| SCHEMBL10194916 | 0.74 | IDO1 (0.42) | ALDH1A1PKMGAAIDO1TDO2 | |
| SCHEMBL17850419 | 0.72 | WDR5 (0.37) | ALDH1A1HPGDKMT2A | |
| SCHEMBL10194732 | 0.69 | ESRRA (0.44) | ALDH1A1GAAESRRATSHRL3MBTL1 | |
| SCHEMBL10195780 | 0.68 | ESRRA (0.44) | ALDH1A1ESRRATSHRL3MBTL1HTT | |
| SCHEMBL10195446 | 0.67 | PIK3CA (0.42) | HPGDSMN1; SMN2MEN1KMT2AESRRA | |
| SCHEMBL17850412 | 0.66 | ESRRA (0.48) | SMN1; SMN2ESRRA | |
| SCHEMBL4030523 | 0.65 | HDAC4 (0.61) | DRD2DRD4DRD3HDAC4NAMPT | |
| SCHEMBL2396123 | 0.64 | HDAC4 (0.58) | DRD2DRD4DRD3ALDH1A1HDAC4 |
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-2012084704-A1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |