Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.36 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL10202109 | 0.85 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL10203871 | 0.82 | ALDH1A1 (0.37) | ALDH1A1JAK3HSD17B10MAPK1MEN1 | |
| SCHEMBL10202114 | 0.81 | DPP4 (0.36) | JAK3 | |
| SCHEMBL14930636 | 0.81 | ALDH1A1 (0.42) | ALDH1A1JAK3CYP3A4TSHRCYP2C19 | |
| SCHEMBL10202326 | 0.79 | USP2 (0.38) | ALDH1A1JAK3CYP3A4TSHRCYP2C19 | |
| SCHEMBL10202115 | 0.78 | DPP4 (0.32) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL16518666 | 0.77 | DPP4 (0.35) | CYP3A4 | |
| SCHEMBL10202323 | 0.77 | DPP4 (0.35) | CYP3A4 | |
| SCHEMBL16995151 | 0.77 | DPP4 (0.35) | CYP3A4 | |
| SCHEMBL10202107 | 0.77 | DPP4 (0.31) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012061552-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS | THERAVANCE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |