Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL21443474 | 1.00 | BTK (0.30) | BTKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL20381564 | 0.86 | RXRA (0.32) | — | |
| SCHEMBL9069815 | 0.86 | RXRA (0.32) | — | |
| SCHEMBL11932207 | 0.81 | RXRA (0.31) | — | |
| SCHEMBL18469903 | 0.81 | RXRA (0.31) | — | |
| SCHEMBL18431820 | 0.81 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12518465 | 0.75 | NPC1 (0.43) | BTKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14959224 | 0.75 | CHRNB2 (0.34) | BTKCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19820321 | 0.74 | — | — | |
| SCHEMBL12519507 | 0.72 | CHRNB2 (0.52) | BTKCHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012122383-A2 | PI3 KINASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2012-09-13 | — | — | WO | disclosed |
| WO-2011090760-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-07-28 | — | — | WO | disclosed |
| WO-2009082701-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2009-07-02 | — | — | WO | disclosed |