Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5693588 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL16964256 | 0.90 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8526418 | 0.84 | MMP2 (0.64) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL9275540 | 0.84 | MMP2 (0.64) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL6284583 | 0.83 | CYP2D6 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL21012467 | 0.82 | MMP8 (0.65) | CYP2D6TSHRMMP8KMT2AGAA | |
| SCHEMBL16964930 | 0.82 | BACE1 (0.55) | KMT2AMEN1BACE1BACE2 | |
| SCHEMBL9275432 | 0.81 | TLR2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8358645 | 0.81 | TLR2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL3907033 | 0.80 | MMP2 (0.71) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |