Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1161533 | 0.86 | CYP3A4 (0.55) | CYP3A4PDE10AKDM4EALOX15TSHR | |
| SCHEMBL30739017 | 0.85 | PDE10A (0.47) | CYP3A4PDE10AKCNH2HRH3ALDH1A1 | |
| SCHEMBL2045483 | 0.80 | ALDH1A1 (0.46) | CYP3A4KDM4EALOX15TSHRTDP1 | |
| SCHEMBL6557713 | 0.80 | ALDH1A1 (0.48) | KDM4EALDH1A1SMN1; SMN2KMT2AHDAC6 | |
| SCHEMBL31267402 | 0.80 | ALDH1A1 (0.55) | KDM4ETDP1ALDH1A1GFERSMN1; SMN2 | |
| SCHEMBL1464928 | 0.80 | CYP3A4 (0.56) | CYP3A4PDE10AKDM4ETDP1KCNH2 | |
| SCHEMBL1161873 | 0.77 | PPARG (0.52) | ALDH1A1GFERSMN1; SMN2MAPTRAB9A | |
| SCHEMBL1161498 | 0.76 | HDAC6 (0.64) | CYP3A4PDE10AKDM4EALOX15TSHR | |
| SCHEMBL29571733 | 0.76 | HDAC6 (0.64) | CYP3A4PDE10AKDM4EALOX15TSHR | |
| SCHEMBL1463889 | 0.76 | CYP3A4 (0.53) | CYP3A4PDE10AKDM4EKCNH2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011012622-A1 | BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS | GLAXO GROUP LIMITED (GB) | 2011-02-03 | — | — | WO | disclosed |