Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29558651 | 0.91 | PDE5A (0.57) | PDE5AKDM4ETP53HTTCYP3A4 | |
| SCHEMBL28725357 | 0.91 | PDE5A (0.57) | PDE5AKDM4ETP53HTTCYP3A4 | |
| SCHEMBL29558761 | 0.80 | KDM4E (0.46) | PDE5AKDM4ETP53HTTCYP3A4 | |
| SCHEMBL29558717 | 0.78 | ALDH1A1 (0.56) | PDE5AKDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL4864159 | 0.77 | PDE5A (1.00) | PDE5ACYP3A4CYP2C19LMNAPOLB | |
| SCHEMBL12175948 | 0.76 | RAD52 (0.76) | PDE5AKDM4EHTTLMNAMAPT | |
| SCHEMBL20511447 | 0.76 | TSHR (0.52) | PDE5ATP53HTTCYP3A4CYP2C19 | |
| SCHEMBL29558864 | 0.74 | APP (0.63) | PDE5AKDM4EHSD17B10SMN1; SMN2POLB | |
| SCHEMBL6690806 | 0.74 | RAB9A (0.67) | TP53CYP3A4CYP2C19SMN1; SMN2MAPT | |
| SCHEMBL31329349 | 0.74 | MEN1 (0.66) | PDE5ATP53SMN1; SMN2LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | claimed |
| CN-114380753-A | Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof | 中国医学科学院药物研究所 | 2022-04-22 | — | — | CN | disclosed |