Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 3/20 | 0.40 |
| ▸ | FABP3 | P05413 | 3/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24361889 | 0.83 | ALDH1A1 (0.66) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL11661676 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL5822854 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL17271346 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL2961689 | 0.75 | ALDH1A1 (0.73) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL3120591 | 0.75 | KDM4E (0.53) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL16178487 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL11656887 | 0.74 | TDP1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDTDP1 | |
| SCHEMBL11657107 | 0.73 | CES1 (0.39) | ALDH1A1HSD17B10KMT2AMEN1CYP2C19 | |
| SCHEMBL28161450 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KDM4EHSD17B10HPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4107329-A | Fluorinated compounds as therapeutics | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-15 | — | — | US | disclosed |