Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | PDE5A | O76074 | 17/20 | 0.57 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.57 |
| ▸ | PDE2A | O00408 | 2/20 | 0.57 |
| ▸ | PDE9A | O76083 | 2/20 | 0.57 |
| ▸ | PDE4A | P27815 | 2/20 | 0.57 |
| ▸ | PDE6C | P51160 | 2/20 | 0.57 |
| ▸ | PDE1A | P54750 | 2/20 | 0.57 |
| ▸ | PDE11A | Q9HCR9 | 2/20 | 0.57 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.57 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.57 |
| ▸ | PDE6D | O43924 | 1/20 | 0.57 |
| ▸ | PDE8A | O60658 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | PDE6A | P16499 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL26766365 | 0.94 | KMT2A (0.66) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL22558019 | 0.91 | KMT2A (0.62) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL29393046 | 0.91 | KMT2A (0.62) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL4369284 | 0.91 | KMT2A (0.62) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL29010393 | 0.90 | KMT2A (0.61) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL22793623 | 0.89 | KMT2A (0.60) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| SCHEMBL29010395 | 0.88 | KMT2A (0.58) | KMT2AKDM4EPDE5APDE3BPDE3A | |
| Sildenafil SCHEMBL492566 | 0.86 | PDE5A (0.77) | PDE5APDE3BPDE3APDE2APDE9A | |
| SCHEMBL28417274 | 0.86 | PDE5A (0.65) | KMT2AKDM4EPDE5APDE2APDE9A | |
| SCHEMBL19518061 | 0.86 | PDE5A (0.77) | PDE5APDE3BPDE3APDE2APDE9A |
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-111297868-A | Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases | 黄泳华 | 2020-06-19 | — | — | CN | claimed |
| CN-111297868-A | Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases | 黄泳华 | 2020-06-19 | — | — | CN | disclosed |