Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5264350 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AL3MBTL1MAOB | |
| SCHEMBL22529289 | 0.93 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AL3MBTL1MAOB | |
| SCHEMBL14427922 | 0.87 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AL3MBTL1MAOB | |
| SCHEMBL7242379 | 0.86 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AL3MBTL1MAOB | |
| SCHEMBL10609388 | 0.83 | ABCB1 (0.58) | ALDH1A1MEN1KMT2APDE4APDE4B | |
| SCHEMBL10608985 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2APDE4APDE4B | |
| SCHEMBL18427349 | 0.76 | STING1 (0.46) | ALDH1A1MEN1KMT2AMAOBMAOA | |
| SCHEMBL5268318 | 0.76 | PIN1 (0.38) | ALDH1A1MEN1KMT2AL3MBTL1MAOB | |
| SCHEMBL18427309 | 0.76 | STING1 (0.46) | ALDH1A1MEN1KMT2AMAOBMAOA | |
| SCHEMBL18427307 | 0.76 | PIN1 (0.38) | ALDH1A1MEN1KMT2AL3MBTL1MAOB |
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-7126014-B2 | Synthesis of epecatechin-4α, 8-epicatechin and -catechin dimers and derivatives thereof | MARS, INC. | 2006-10-24 | — | — | US | disclosed |