Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | CPN1 | P15169 | 1/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13162563 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| SCHEMBL13162559 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| SCHEMBL5229098 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| SCHEMBL9667251 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4432611 | 0.78 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| Hydrochloric Acid SCHEMBL1224656 | 0.78 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| Hydrochloric Acid SCHEMBL1224660 | 0.78 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| Hydrochloric Acid SCHEMBL9669249 | 0.78 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| SCHEMBL5236369 | 0.77 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 | |
| SCHEMBL18183307 | 0.77 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899335-B1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PF MEDICAMENT (FR) | 2010-05-19 | — | — | EP | disclosed |