Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564617 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTHSD17B10HPGDPKM | |
| SCHEMBL28437828 | 0.78 | HDAC1 (0.48) | ALDH1A1MAPTKDM4EHTR1AHTR2A | |
| SCHEMBL8560583 | 0.78 | KMT2A (0.53) | ALDH1A1HSD17B10POLBKDM4EMEN1 | |
| SCHEMBL8560584 | 0.78 | KMT2A (0.53) | ALDH1A1HSD17B10POLBKDM4EMEN1 | |
| SCHEMBL29086042 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPTHSD17B10HPGDPKM | |
| SCHEMBL8567665 | 0.75 | ATM (0.58) | ALDH1A1MAPTHSD17B10POLBKDM4E | |
| SCHEMBL8567660 | 0.75 | ATM (0.58) | ALDH1A1MAPTHSD17B10POLBKDM4E | |
| Bromide SCHEMBL8560903 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MAPTHSD17B10HPGDPKM | |
| Bromide SCHEMBL8560897 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MAPTHSD17B10HPGDPKM | |
| SCHEMBL1514921 | 0.73 | MEN1 (0.50) | ALDH1A1POLBMEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |