Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | AS3MT | Q9HBK9 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | PRKACG | P22612 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991066 | 0.86 | CDK5 (0.42) | PARP1HPGDALDH1A1CDK5DYRK1A | |
| SCHEMBL20744794 | 0.83 | ADORA2A (0.42) | MPOADORA2AADORA1 | |
| SCHEMBL20142098 | 0.82 | AS3MT (0.45) | CDK5DYRK1ACDK5R1NSD2AS3MT | |
| SCHEMBL12123494 | 0.80 | PARP1 (0.37) | PARP1MPONSD2AS3MTGFER | |
| SCHEMBL1318754 | 0.78 | CCNT1 (0.46) | PARP1ALDH1A1TSHRADORA2AKDM4E | |
| SCHEMBL6240087 | 0.78 | PARP1 (0.50) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL6189743 | 0.75 | HPGD (0.52) | HPGDALDH1A1TSHRGFERGAA | |
| SCHEMBL2876157 | 0.73 | PRKACA (0.44) | ALDH1A1CDK5DYRK1ACDK5R1TSHR | |
| SCHEMBL2645516 | 0.73 | ADORA1 (0.58) | HPGDALDH1A1CDK5DYRK1ACDK5R1 | |
| SCHEMBL6558785 | 0.72 | KIF11 (0.42) | ALDH1A1CDK5DYRK1ACDK5R1NSD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5593997-A | 4-aminopyrazolo(3-,4-D)pyrimidine and 4-aminopyrazolo-(3,4-D)pyridine tyrosine kinase inhibitors | PFIZER INC. (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0141608-A2 | Pyrazolopyridine cycloalkanone derivatives | ICI AMERICAS INC. (US) | 1985-05-15 | — | — | EP | disclosed |