Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12965850 | 0.74 | TDP1 (0.53) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL22791651 | 0.73 | ALDH1A1 (0.43) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL13072470 | 0.72 | TDP1 (0.52) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL19030678 | 0.72 | AKR1B1 (0.50) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL23277898 | 0.68 | AKR1B1 (0.34) | ALDH1A1KDM4EAKR1B1MAPT | |
| SCHEMBL10696856 | 0.67 | TDP1 (0.56) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL15724650 | 0.67 | TDP1 (0.56) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL13799419 | 0.67 | AKR1B1 (0.44) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL10806184 | 0.66 | ALDH1A1 (0.46) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL9818879 | 0.66 | PBRM1 (0.58) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473498-A | Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents | 豪夫迈·罗氏有限公司 | 2018-08-31 | — | — | CN | disclosed |