Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300511 | 0.82 | ALDH1A1 (0.59) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL10059378 | 0.78 | ALDH1A1 (0.59) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL3300493 | 0.78 | ALDH1A1 (0.64) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL30991087 | 0.76 | SMN1; SMN2 (0.47) | ALDH1A1CYP1A2HPGDHSD17B10RAB9A | |
| SCHEMBL3307167 | 0.76 | ALDH1A1 (0.67) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL3972355 | 0.76 | ALDH1A1 (0.66) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL14909303 | 0.76 | HTT (0.40) | HPGDHTTSMN1; SMN2POLBCHRNB2 | |
| SCHEMBL356681 | 0.73 | ALDH1A1 (0.80) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL143243 | 0.73 | ALDH1A1 (0.67) | KDM4EALDH1A1CYP1A2HPGDBLM | |
| SCHEMBL3306525 | 0.72 | ALDH1A1 (0.56) | KDM4EALDH1A1CYP1A2HPGDBLM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |