Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15184714 | 0.79 | GAA (0.41) | CYP1A2CYP2C19GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3246301 | 0.79 | GAA (0.41) | CYP1A2CYP2C19GRIN2DGRIN3BGRIN1 | |
| SCHEMBL15184721 | 0.76 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1TSHRCYP2C9 | |
| SCHEMBL3239489 | 0.76 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1TSHRCYP2C9 | |
| SCHEMBL2333775 | 0.74 | CYP1A2 (0.34) | CYP1A2CYP2C19 | |
| SCHEMBL2333772 | 0.74 | CYP1A2 (0.34) | CYP1A2CYP2C19 | |
| SCHEMBL12061479 | 0.72 | CYP1A2 (0.56) | CYP1A2CYP2A6CYP2C19GRIN2DGRIN3B | |
| SCHEMBL2329800 | 0.71 | CYP2D6 (0.46) | CYP1A2CYP2C19ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL7007166 | 0.69 | CYP1A2 (0.65) | CYP1A2CYP2A6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL13458364 | 0.69 | TSHR (0.44) | CYP2C19ALDH1A1TSHRCYP3A4KDM4E |
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-2011099947-A1 | A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS | CAGIR ALI (TR) | 2011-08-18 | — | — | WO | disclosed |