Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 8/20 | 0.53 |
| ▸ | EGFR | P00533 | 6/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | JAK3 | P52333 | 6/20 | 0.49 |
| ▸ | JAK2 | O60674 | 4/20 | 0.49 |
| ▸ | JAK1 | P23458 | 4/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL690318 | 0.81 | TGM2 (0.71) | BTKEGFRKCNH2ERBB2JAK3 | |
| SCHEMBL691113 | 0.77 | EGFR (0.67) | BTKEGFRKCNH2ERBB2JAK3 | |
| SCHEMBL12262344 | 0.75 | EGFR (0.57) | BTKEGFRKCNH2ERBB2JAK3 | |
| Ammonia Solution, Strong SCHEMBL27797645 | 0.74 | ABL1 (0.57) | ABL1BCRKDM4EMAPTMAPK1 | |
| SCHEMBL692807 | 0.72 | EGFR (0.68) | BTKEGFRKCNH2ERBB2JAK3 | |
| SCHEMBL690536 | 0.71 | MAP2K7 (0.69) | BTKEGFRKCNH2ERBB2JAK3 | |
| SCHEMBL20138980 | 0.71 | EGFR (0.67) | BTKEGFRKCNH2ERBB2TGM2 | |
| SCHEMBL3488790 | 0.70 | EGFR (0.51) | BTKEGFRKCNH2ERBB2JAK3 | |
| SCHEMBL4114739 | 0.70 | ABL1 (0.60) | ABL1BCRKDM4EMAPTMAPK1 | |
| SCHEMBL3488793 | 0.70 | EGFR (0.51) | BTKEGFRKCNH2ERBB2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105367503-A | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS INC | 2016-03-02 | — | — | CN | disclosed |
| CN-101902911-B | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS, INC. (US) | 2015-12-16 | — | — | CN | disclosed |
| CN-101902911-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS INC | 2010-12-01 | — | — | CN | disclosed |