Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14909743 | 1.00 | ALOX5 (0.42) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19926330 | 0.81 | CHRNB2 (0.48) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL1231239 | 0.80 | SLC6A2 (0.42) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14909537 | 0.80 | SLC6A2 (0.42) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9716115 | 0.80 | SLC6A2 (0.42) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14910736 | 0.76 | KMT2A (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14910738 | 0.76 | KMT2A (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14562562 | 0.75 | ALOX5 (0.40) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL21116501 | 0.75 | CHRNB2 (0.49) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19926247 | 0.73 | CHRNB2 (0.51) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 |
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-2589592-B1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM CORP (JP) | 2018-08-22 | — | — | EP | disclosed |
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |