Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 4/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL17523438 | 0.78 | HTR2A (0.40) | PDE2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1453653 | 0.75 | CHRNB2 (0.36) | PDE2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1453942 | 0.75 | CYP1A2 (0.36) | PDE2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1452327 | 0.75 | CA1 (0.36) | PDE2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4650959 | 0.75 | LMNA (0.37) | ALDH1A1 | |
| SCHEMBL1452916 | 0.74 | TERT (0.35) | CHRNB2CHRNA4CHRNB4CHRNA3PNMT | |
| SCHEMBL4652181 | 0.72 | — | — | |
| SCHEMBL4651917 | 0.69 | HDAC2 (0.40) | — | |
| SCHEMBL4652089 | 0.69 | QDPR (0.35) | KIF11 | |
| SCHEMBL4651188 | 0.68 | CYP3A4 (0.35) | — |
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-1971621-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | ExxonMobil Chemical Patents Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007070045-A1 | PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |