Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12465590 | 0.85 | TSHR (0.68) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL7193591 | 0.84 | CYP2D6 (0.70) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL15009831 | 0.81 | CYP2C9 (0.66) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL731549 | 0.77 | CYP2D6 (0.55) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL1478276 | 0.77 | F2 (0.51) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL19334319 | 0.77 | CYP2C9 (0.66) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| Urea SCHEMBL8693555 | 0.76 | CYP2D6 (0.53) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL7194116 | 0.76 | CYP2D6 (0.79) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL5655445 | 0.75 | CYP2D6 (0.72) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 | |
| SCHEMBL28588864 | 0.75 | CYP2D6 (0.72) | CYP2C9CYP2C19CYP2D6TSHRALDH1A1 |
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-2004017911-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |