Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL330152 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3971556 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3968261 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3968264 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3968258 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3971549 | 1.00 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL8278978 | 0.95 | ADRB3 (0.36) | ADRB3ADRA2BADRA2C | |
| SCHEMBL13923947 | 0.91 | ADRB3 (0.36) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3965128 | 0.90 | ADRB3 (0.45) | ADRB3ADRA2BADRA2CALDH1A1KDM4E | |
| SCHEMBL3965120 | 0.90 | ADRB3 (0.45) | ADRB3ADRA2BADRA2CALDH1A1KDM4E |
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 |