Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL330076 | 0.89 | KDM4E (0.33) | ALDH1A1KDM4E | |
| SCHEMBL6155030 | 0.79 | POLB (0.36) | ALDH1A1KMT2AKDM4EMAPTTDP1 | |
| SCHEMBL3369229 | 0.69 | DDB1 (0.34) | — | |
| SCHEMBL330154 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL3968258 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL3971556 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL3968264 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL330152 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL3971549 | 0.68 | ADRB3 (0.36) | ALDH1A1KMT2AKDM4EHPGDMAPT | |
| SCHEMBL2837627 | 0.67 | ALDH1A1 (0.31) | ALDH1A1NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |
| EP-2407470-A2 | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | F. Hoffmann-La Roche Ltd. (CH) | 2012-01-18 | — | — | EP | disclosed |
| US-7491794-B2 | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE, INC. (US) | 2009-02-17 | — | — | US | disclosed |