Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL357188 | 0.77 | NCF1 (0.37) | IDO1 | |
| SCHEMBL12026417 | 0.76 | HRH3 (0.34) | — | |
| SCHEMBL7353865 | 0.75 | IDO1 (0.31) | IDO1SMOACHELTA4H | |
| SCHEMBL12239181 | 0.75 | SMO (0.33) | IDO1SMOACHELTA4H | |
| Hydrochloric Acid SCHEMBL1902055 | 0.75 | NCF1 (0.36) | IDO1 | |
| SCHEMBL23155733 | 0.75 | IDO1 (0.31) | IDO1SMOACHELTA4H | |
| SCHEMBL357187 | 0.75 | IDO1 (0.31) | IDO1SMOACHELTA4H | |
| SCHEMBL19195506 | 0.75 | IDO1 (0.31) | IDO1SMOACHELTA4H | |
| SCHEMBL1965395 | 0.74 | — | — | |
| SCHEMBL1272627 | 0.73 | KDM4E (0.42) | IDO1 |
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-104955824-B | It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M | 豪夫迈·罗氏有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-104955824-A | Aminopyrimidine compounds as inhibitors of t790m containing egfr mutants | GENENTECH INC | 2015-09-30 | — | — | CN | disclosed |