Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ATXN2 | Q99700 | 8/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17112559 | 1.00 | CHRNB2 (0.37) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL17310817 | 0.89 | CHRNA4 (0.51) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL22188654 | 0.89 | CHRNA4 (0.51) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL22188655 | 0.89 | CHRNA4 (0.51) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL17310833 | 0.88 | CHRNA4 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| Hydrochloric Acid SCHEMBL17310834 | 0.88 | CHRNA4 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL21313833 | 0.86 | CHRNB2 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL17112646 | 0.85 | ATXN2 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL17112648 | 0.85 | ATXN2 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL21323354 | 0.85 | HRH4 (0.34) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3122750-B1 | BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |
| EP-3122750-A1 | BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015144605-A1 | BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | disclosed |