Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | KDM4B | O94953 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL174735 | 0.77 | ADORA3 (1.00) | ADORA3GRM5ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5127992 | 0.75 | ADORA3 (0.96) | ADORA3GRM5ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5129999 | 0.75 | ADORA3 (0.96) | ADORA3GRM5ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL10598992 | 0.75 | ADORA3 (0.96) | ADORA3GRM5ALDH1A1KMT2AKDM4E | |
| Purine SCHEMBL3157 | 0.72 | — | — | |
| Purine SCHEMBL2120547 | 0.72 | KDM4A (0.38) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL6421376 | 0.72 | KDM4A (0.38) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL29456595 | 0.72 | — | — | |
| Purine SCHEMBL1415387 | 0.70 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Purine SCHEMBL625350 | 0.70 | KDM4A (0.37) | KDM4AKDM4BKDM5CKDM4CKDM5B |
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-2006086545-A2 | METHOD TO IDENTIFY NOVEL THERAPEUTICS | DESIMONE ROBERT W (US) | 2006-08-17 | — | — | WO | disclosed |