Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.50 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.50 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.37 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.37 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16621803 | 0.98 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL17643449 | 0.88 | CHRNB2 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12801561 | 0.87 | L3MBTL3 (0.51) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL11892702 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12800833 | 0.83 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12313355 | 0.82 | MEN1 (0.54) | L3MBTL1L3MBTL3EPHX2ALDH1A1MEN1 | |
| SCHEMBL24402289 | 0.82 | NPC1 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12801522 | 0.82 | NPC1 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12452076 | 0.81 | MEN1 (0.56) | L3MBTL1L3MBTL3EPHX2ALDH1A1MEN1 | |
| SCHEMBL26511082 | 0.79 | CHRNB2 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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 |