Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817490 | 0.88 | CYP3A4 (0.37) | CYP3A4SLC6A2SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL2157630 | 0.85 | CYP3A4 (0.40) | CYP3A4SLC6A2SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL3811295 | 0.85 | CYP3A4 (0.39) | CYP3A4SLC6A2SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL3809084 | 0.81 | CYP1A2 (0.39) | CYP3A4ALDH1A1SMN1; SMN2TSHRCASP1 | |
| SCHEMBL3807407 | 0.80 | IKBKB (0.36) | CYP3A4SMN1; SMN2TSHRCASP1MAPT | |
| SCHEMBL3817609 | 0.79 | CYP3A4 (0.39) | CYP3A4SMN1; SMN2KMT2AMEN1TSHR | |
| SCHEMBL3815114 | 0.79 | SRD5A2 (0.41) | CYP3A4SMN1; SMN2TSHRCASP1MAPT | |
| SCHEMBL3813315 | 0.78 | FLT1 (0.39) | CYP3A4ALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL3814717 | 0.77 | AVPR2 (0.35) | CYP3A4SLC6A2SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL3812137 | 0.77 | AVPR2 (0.42) | CYP3A4 |
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 |