Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1041136 | 0.83 | PLAUR (0.50) | NQO2ALDH1A1PDE3BPDE3ACDK9 | |
| SCHEMBL4611131 | 0.80 | ALDH1A1 (0.46) | NQO2ALDH1A1ELANEPDE3BPDE3A | |
| SCHEMBL10285824 | 0.80 | PARP1 (0.50) | ALDH1A1ELANEPDE3BPDE3AKDM4E | |
| SCHEMBL16052812 | 0.77 | PDE3B (0.43) | NQO2PDE3BPDE3AKDM4EKMT2A | |
| SCHEMBL4172152 | 0.77 | PARP1 (0.53) | ELANEPDE3BPDE3ACDK9DYRK1A | |
| SCHEMBL14765153 | 0.77 | PARP1 (0.53) | DAOTNKSPARP1TNKS2POLB | |
| SCHEMBL14764904 | 0.77 | CA12 (0.43) | CDK9DYRK1AGUSBDAOPARP1 | |
| SCHEMBL4420447 | 0.76 | NQO2 (0.46) | NQO2ALDH1A1PDE3BPDE3ACDK9 | |
| SCHEMBL16053154 | 0.75 | PDE3B (0.38) | NQO2PDE3BPDE3AKDM4ETNKS | |
| SCHEMBL14764844 | 0.75 | NQO2 (0.44) | NQO2ALDH1A1PDE3BPDE3AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014139983-A1 | [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS | H. LUNDBECK A/S (DK) | 2014-09-18 | — | — | WO | disclosed |
| WO-2013034758-A1 | SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |