Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22349826 | 0.83 | ALDH1A1 (0.49) | ADORA3ALDH1A1KDM4EHPGDGLA | |
| SCHEMBL7092854 | 0.80 | HDAC3 (0.49) | ADORA3HSD17B10ADORA2AADORA2BADORA1 | |
| SCHEMBL10201593 | 0.76 | KMT2A (0.48) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL6431328 | 0.75 | KMT2A (0.55) | ALDH1A1KDM4EHPGDLMNASMN1; SMN2 | |
| SCHEMBL10546070 | 0.71 | CYP19A1 (0.36) | ALDH1A1ADORA2AADORA2BLMNAAPOBEC3G | |
| SCHEMBL27534326 | 0.71 | CYP1A2 (0.43) | KDM4ELMNABLM | |
| SCHEMBL24168945 | 0.70 | KEAP1 (0.57) | ALDH1A1L3MBTL1LMNAGFERSMN1; SMN2 | |
| Hexane SCHEMBL8812661 | 0.69 | KDM4E (0.59) | ALDH1A1KDM4EHSD17B10GFERSMN1; SMN2 | |
| SCHEMBL292558 | 0.69 | NPC1 (0.40) | ALDH1A1KDM4EGAALMNAAPOBEC3G | |
| SCHEMBL9541688 | 0.68 | KDR (0.42) | ALDH1A1KDM4ELMNAAPOBEC3GSMN1; SMN2 |
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-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |