Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20748518 | 0.72 | IDO1 (0.42) | IDO1TDO2METAP2CHEK1KDM4E | |
| SCHEMBL18238082 | 0.69 | METAP2 (0.37) | IDO1TDO2METAP2NOS1TRPA1 | |
| SCHEMBL17998714 | 0.69 | ALDH1A1 (0.39) | CHEK1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL16339751 | 0.68 | IDO1 (0.41) | IDO1METAP2NOS1 | |
| SCHEMBL4754287 | 0.67 | IDO1 (0.47) | IDO1TDO2METAP2CHEK1KDM4E | |
| SCHEMBL2611044 | 0.66 | RET (0.55) | CHEK1ALDH1A1MKNK1CYP1A2AURKA | |
| SCHEMBL12490252 | 0.66 | BACE1 (0.43) | ALDH1A1GAAHPGDHIF1ANOS3 | |
| SCHEMBL20884905 | 0.66 | METAP2 (0.59) | IDO1TDO2METAP2KDM4EMEN1 | |
| SCHEMBL27051688 | 0.66 | HASPIN (0.43) | NOS3NOS1NOS2CYP1A2 | |
| SCHEMBL15742026 | 0.66 | HTT (0.42) | KDM4EMEN1MAPTKMT2AHTT |
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-3052494-A1 | AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | Genentech, Inc. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2014210354-A1 | AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | GENENTECH, INC. (US) | 2014-12-31 | — | — | WO | disclosed |