Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2317409 | 0.83 | HSD17B10 (0.63) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL22053016 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL27921167 | 0.80 | HPGD (0.51) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL36944169 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL16943038 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL23055618 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL671167 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL671134 | 0.76 | LRRK2 (0.50) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL26832821 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL4016605 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |