Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.43 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19959245 | 0.91 | CHRNB2 (0.43) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL19959239 | 0.91 | CHRNB2 (0.43) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL5230643 | 0.91 | CHRNB2 (0.43) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL19959091 | 0.84 | CHRNB2 (0.43) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL5234321 | 0.82 | HRH3 (0.44) | EEDHRH3HRH4CPN1CPB2 | |
| SCHEMBL18183307 | 0.82 | CHRNB2 (0.44) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL13610211 | 0.81 | ALDH1A1 (0.46) | CHRNB2CHRNA4EEDCHRNB4CHRNA3 | |
| SCHEMBL1088927 | 0.81 | — | — | |
| SCHEMBL1484881 | 0.81 | — | — | |
| SCHEMBL792732 | 0.81 | — | — |
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-1347979-B1 | INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2007-08-08 | — | — | EP | claimed |
| EP-1764367-A1 | THIENOPYRIDINE DERIVATIVES | Sankyo Company, Limited (JP) | 2007-03-21 | — | — | EP | disclosed |