Predicted protein targets (top 20)
| 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 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | ACACA | Q13085 | 2/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26511416 | 0.89 | CHRNB2 (0.43) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL20215802 | 0.88 | CHRNB2 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL25075390 | 0.87 | CHRNB2 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL16621803 | 0.86 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL15932473 | 0.86 | ALDH1A1 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12800833 | 0.83 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14035661 | 0.82 | ALDH1A1 (0.55) | EPHX2ALDH1A1KDM4ETSHRKMT2A | |
| SCHEMBL12801522 | 0.82 | NPC1 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL24402289 | 0.82 | NPC1 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL3766487 | 0.81 | CHRNB2 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016049565-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | ARAXES PHARMA LLC (US) | 2016-03-31 | — | — | WO | disclosed |