Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27927983 | 0.82 | KDM4E (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL11495836 | 0.74 | KDM4E (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL15409383 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10CYP1A2 | |
| SCHEMBL28051766 | 0.70 | ADRA1D (0.48) | ALDH1A1KDM4EHPGDHSD17B10CYP1A2 | |
| SCHEMBL9591177 | 0.70 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL14353384 | 0.69 | POLB (0.54) | KDM4EHSD17B10 | |
| SCHEMBL16506482 | 0.69 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD17B10UTS2RPKM | |
| SCHEMBL161321 | 0.68 | SIRT3 (0.46) | — | |
| SCHEMBL31606794 | 0.68 | SIRT3 (0.46) | — | |
| SCHEMBL28051782 | 0.68 | PTGER4 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10 |
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-103209962-A | Substituted 6-amino-nicotinamides as kcnq2/3 modulators | GRUENENTHAL GMBH | 2013-07-17 | — | — | CN | disclosed |