Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL940026 | 0.76 | CHRNA4 (0.37) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10268122 | 0.72 | CHRNB2 (0.38) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL12829020 | 0.69 | OPRD1 (0.43) | ALDH1A1 | |
| SCHEMBL2080353 | 0.69 | OPRD1 (0.44) | MEN1NPC1ALDH1A1GAARAB9A | |
| SCHEMBL1472474 | 0.68 | CHRNB2 (0.41) | CHRNA4CHRNB2MEN1NPC1ALDH1A1 | |
| SCHEMBL12829021 | 0.68 | PROKR1 (0.46) | — | |
| SCHEMBL9853163 | 0.68 | POLB (0.47) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL2689542 | 0.68 | OPRD1 (0.43) | MEN1NPC1ALDH1A1GAARAB9A | |
| SCHEMBL12828714 | 0.67 | OPRM1 (0.43) | MEN1NPC1ALDH1A1GAARAB9A | |
| Hydrochloric Acid SCHEMBL16321264 | 0.67 | PROKR1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212332-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009033581-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-19 | — | — | WO | disclosed |