Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439879 | 0.77 | GAA (0.44) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10533429 | 0.77 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL20794010 | 0.77 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10041517 | 0.77 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL1070651 | 0.72 | CHRNB2 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL14870536 | 0.72 | CHRNB2 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL30991573 | 0.70 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24052064 | 0.69 | TSHR (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2731404 | 0.69 | TSHR (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11775882 | 0.68 | KMT2A (0.45) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012057709-A1 | NOVEL PHASE TRANSFER CATALYSTS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2012-05-03 | — | — | WO | disclosed |