Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9016169 | 0.77 | POLB (0.39) | TSHR | |
| SCHEMBL2912108 | 0.76 | CRBN (0.36) | ALDH1A1KDM4EHPGDHIF1A | |
| Hydrochloric Acid SCHEMBL3219393 | 0.74 | KDM4E (0.37) | ALDH1A1KDM4EHPGDHIF1A | |
| SCHEMBL23829739 | 0.68 | ALDH1A1 (0.50) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL3545508 | 0.68 | ATM (0.33) | ALDH1A1KDM4EHPGDHIF1ATSHR | |
| SCHEMBL5244811 | 0.67 | ALDH1A1 (0.41) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL18039798 | 0.67 | GRIN1 (0.37) | — | |
| SCHEMBL22931287 | 0.66 | — | — | |
| SCHEMBL30997917 | 0.64 | — | — | |
| SCHEMBL24242202 | 0.64 | ALDH1A1 (0.38) | ALDH1A1MAPTRECQLKMT2A |
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-0638568-B1 | Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them | ADIR (FR) | 1996-10-09 | — | — | EP | disclosed |
| EP-0638568-A1 | Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1995-02-15 | — | — | EP | disclosed |