Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 3/20 | 0.31 |
| ▸ | IDH2 | P48735 | 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 | |
|---|---|---|---|---|
| SCHEMBL1570923 | 0.76 | EGFR (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27831763 | 0.75 | IMPDH2 (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2304682 | 0.72 | SLC6A2 (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2304694 | 0.71 | SLC6A4 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL13157481 | 0.70 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2302795 | 0.68 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL723282 | 0.65 | AOC3 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL29763767 | 0.65 | AOC3 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL806284 | 0.64 | LOXL2 (0.49) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2303379 | 0.64 | SLC6A2 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102099031-A | Substituted indolyl and indazolyl derivatives and their use | HOFFMANN LA ROCHE | 2011-06-15 | — | — | CN | claimed |
| CN-102099031-A | Substituted indolyl and indazolyl derivatives and their use | HOFFMANN LA ROCHE | 2011-06-15 | — | — | CN | disclosed |