Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GOT1 | P17174 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL3102409 | 1.00 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1IDO1KDM4ENPC1 | |
| SCHEMBL6017122 | 0.78 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1IDO1KDM4ENPC1 | |
| SCHEMBL3322710 | 0.76 | HDAC4 (0.38) | ALDH1A1L3MBTL1KDM4EHSD17B10HDAC4 | |
| SCHEMBL3704382 | 0.75 | HTR2C (0.38) | GAAHDAC4HTR2CMEN1KMT2A | |
| SCHEMBL34461976 | 0.75 | GABRG2 (0.47) | ALDH1A1L3MBTL1IDO1KDM4ENPC1 | |
| SCHEMBL8138036 | 0.75 | IDO1 (0.44) | ALDH1A1IDO1HSD17B10SMN1; SMN2RAB9A | |
| SCHEMBL30717913 | 0.75 | IDO1 (0.44) | ALDH1A1IDO1HSD17B10SMN1; SMN2RAB9A | |
| SCHEMBL8893831 | 0.75 | LMNA (0.48) | ALDH1A1IDO1KDM4ENPC1GAA | |
| SCHEMBL3464878 | 0.75 | NPC1 (0.45) | ALDH1A1L3MBTL1IDO1KDM4ENPC1 | |
| SCHEMBL29942556 | 0.75 | IDO1 (0.44) | ALDH1A1IDO1HSD17B10SMN1; SMN2RAB9A |
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-4051674-A1 | BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2022-09-07 | — | — | EP | disclosed |