Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947454 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL1996212 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL14629293 | 0.77 | CHEK1 (0.41) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL5308934 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL5476308 | 0.73 | ALDH1A1 (0.74) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL14629289 | 0.72 | MAPT (0.48) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL5436850 | 0.72 | KDM4D (0.41) | ALDH1A1MAPTKDM4EKMT2AMEN1 | |
| SCHEMBL13156488 | 0.71 | ALDH1A1 (0.70) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL15797075 | 0.71 | CYP1A2 (0.51) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL13263613 | 0.71 | CYP1A2 (0.50) | ALDH1A1HPGDKDM4ECYP1A2CTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |