Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | FAP | Q12884 | 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 | |
|---|---|---|---|---|
| SCHEMBL8278219 | 0.93 | POLB (0.33) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL8294160 | 0.89 | DRD2 (0.35) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL8295392 | 0.88 | ALDH1A1 (0.33) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL8278885 | 0.87 | ADRB3 (0.33) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL3970669 | 0.86 | ADRB3 (0.43) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL3970663 | 0.86 | ADRB3 (0.43) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL3970666 | 0.86 | ADRB3 (0.43) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL8278254 | 0.85 | ADRB3 (0.39) | POLBALDH1A1SMN1; SMN2LMNAHTT | |
| SCHEMBL13886148 | 0.84 | REN (0.33) | ADRB3ADRA2BADRA2C | |
| SCHEMBL8278256 | 0.84 | REN (0.33) | ADRB3ADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |