Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CPN1 | P15169 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27675703 | 0.93 | CHRNB2 (0.38) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27655730 | 0.86 | TDP1 (0.38) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28294100 | 0.85 | TDP1 (0.41) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27675695 | 0.85 | CHRNB2 (0.38) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27655775 | 0.84 | CHRNB2 (0.39) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| SCHEMBL5229098 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3MAP2K1 | |
| SCHEMBL13162559 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3MAP2K1 | |
| SCHEMBL13162563 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3MAP2K1 | |
| Tert-Butyl Formate SCHEMBL27675715 | 0.83 | CHRNB2 (0.39) | CHRNB2CHRNA4TDP1CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL4432611 | 0.82 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3MAP2K1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1968954-A | Thienopyridine Derivatives | SANKYO CO (JP) | 2007-05-23 | — | — | CN | disclosed |