Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL22802654 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL30393093 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL29645617 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL25838114 | 0.80 | VNN1 (0.38) | VNN1 | |
| SCHEMBL25837324 | 0.80 | VNN1 (0.38) | VNN1 | |
| SCHEMBL24042811 | 0.80 | VNN1 (0.35) | VNN1 | |
| SCHEMBL5493081 | 0.78 | VNN1 (0.39) | VNN1 | |
| SCHEMBL31707186 | 0.78 | VNN1 (0.39) | VNN1SOS1 | |
| SCHEMBL25849183 | 0.77 | VNN1 (0.38) | VNN1 | |
| SCHEMBL18348015 | 0.76 | VNN1 (0.39) | VNN1CHRNB2CHRNA3CHRNA4CHRNB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |