Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL919405 | 0.90 | ALDH1A1 (0.33) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL12803214 | 0.88 | ALDH1A1 (0.44) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL6430066 | 0.86 | NPC1 (0.33) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL6064231 | 0.83 | ALDH1A1 (0.40) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL3031172 | 0.83 | ALDH1A1 (0.38) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL29388693 | 0.82 | ALDH1A1 (0.47) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL2291480 | 0.81 | ALDH1A1 (0.40) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL2937285 | 0.81 | ALDH1A1 (0.31) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL9417600 | 0.80 | — | — | |
| SCHEMBL3473918 | 0.80 | ALDH1A1 (0.36) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 |
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-5308549-A | OF ALPHA-TOCOPHEROL, GLYCERIN, POLYOXYETHYLENE GLYCOL AND GLYCERYL MONOCAPRYLATE-CAPRATE | HOFFMANN-LA ROCHE INC. (US) | 1994-05-03 | — | — | US | disclosed |