Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | IL2 | P60568 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817190 | 0.87 | NTRK1 (0.43) | NTRK1GAACYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL3809821 | 0.86 | CYP11B1 (0.35) | PPARACYP11B1CYP11B2GPR27 | |
| SCHEMBL2157820 | 0.86 | NTRK1 (0.45) | NTRK1GAAAKR1C3AKR1C2PPARD | |
| SCHEMBL3816710 | 0.86 | MLYCD (0.42) | BACE1HPGDNPSR1 | |
| SCHEMBL3817340 | 0.83 | RORB (0.37) | ALDH1A1CYP2C19 | |
| SCHEMBL3812444 | 0.83 | ALDH1A1 (0.36) | AKR1C3AKR1C2SMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL3811712 | 0.82 | ACLY (0.34) | GAAGPR27KDM4EALDH1A1HPGD | |
| SCHEMBL3815731 | 0.81 | HDAC6 (0.39) | AKR1C3AKR1C2SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3810958 | 0.80 | KIFC1 (0.41) | GAAPPARDL3MBTL1ALDH1A1 | |
| SCHEMBL3811068 | 0.79 | KDM4E (0.39) | KDM4ENPSR1 |
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-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |