Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | WNT1 | P04628 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1203436 | 0.83 | GSK3B (0.56) | GSK3BDYRK1AP2RX7HPGDALDH1A1 | |
| SCHEMBL2444169 | 0.81 | GSK3B (0.47) | GSK3BDYRK1AP2RX7HPGDALDH1A1 | |
| SCHEMBL2356064 | 0.80 | HPGD (0.56) | GSK3BDYRK1AP2RX7HPGDMEN1 | |
| SCHEMBL14863278 | 0.78 | HPGD (0.55) | GSK3BDYRK1AHPGDMEN1KMT2A | |
| SCHEMBL930073 | 0.78 | GSK3B (0.43) | GSK3BDYRK1AHPGDALDH1A1HTT | |
| SCHEMBL14863275 | 0.78 | ALDH1A1 (0.44) | GSK3BDYRK1AHPGDKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL23269997 | 0.77 | GSK3B (0.38) | GSK3BDYRK1AP2RX7HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL30104181 | 0.77 | GSK3B (0.38) | GSK3BDYRK1AP2RX7HPGDALDH1A1 | |
| SCHEMBL706557 | 0.76 | HPGD (0.56) | GSK3BDYRK1AHPGDKMT2AALDH1A1 | |
| SCHEMBL108722 | 0.75 | GSK3B (0.42) | GSK3BDYRK1AP2RX7HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2424869-B1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | GLAXO GROUP LTD (GB) | 2016-06-22 | — | — | EP | disclosed |