Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6209765 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL9943776 | 0.77 | CA1 (0.51) | CES2CES1GSK3BMAPK1KMT2A | |
| SCHEMBL22746996 | 0.74 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL27767026 | 0.73 | CES2 (0.48) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL11994158 | 0.72 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28380993 | 0.72 | CES2 (0.55) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL28493564 | 0.71 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL3864054 | 0.70 | CES2 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL28376785 | 0.70 | CES2 (0.48) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL5899483 | 0.69 | CES2 (0.75) | TSHRCES2CES1NR4A1NR4A2 |
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-2464368-A1 | CATHEPSIN C INHIBITORS | Glaxo Group Limited (GB) | 2012-06-20 | — | — | EP | disclosed |