Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20828310 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4ETSHRPKM | |
| SCHEMBL30602672 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4ETSHRPKM | |
| SCHEMBL20832626 | 0.82 | L3MBTL1 (0.50) | ALDH1A1TDP1KDM4EPKM | |
| SCHEMBL30602662 | 0.82 | L3MBTL1 (0.50) | ALDH1A1TDP1KDM4EPKM | |
| SCHEMBL20828437 | 0.81 | MAPT (0.40) | ALDH1A1TDP1KDM4ETSHRCYP3A4 | |
| SCHEMBL20828366 | 0.80 | CYP3A4 (0.35) | ALDH1A1KDM4ETSHRCYP3A4CYP2C19 | |
| SCHEMBL22227904 | 0.73 | SPHK1 (0.40) | ALDH1A1TDP1KDM4ETSHRPKM | |
| SCHEMBL20828407 | 0.73 | SPHK1 (0.40) | ALDH1A1TDP1KDM4ETSHRPKM | |
| SCHEMBL22623093 | 0.72 | NPC1 (0.47) | ALDH1A1TDP1KDM4ENPC1KMT2A | |
| SCHEMBL20828443 | 0.72 | KDM4E (0.43) | ALDH1A1TDP1KDM4ETSHRPKM |
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-2019054430-A1 | AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE | 第一三共株式会社 | 2019-03-21 | — | — | WO | disclosed |