Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26167711 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL19720289 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL991516 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL19085486 | 0.76 | CES2 (0.50) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL991514 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| SCHEMBL30736102 | 0.76 | — | — | |
| SCHEMBL177744 | 0.76 | — | — | |
| SCHEMBL19997487 | 0.75 | UHRF1 (0.39) | ALDH1A1KDM4ELMNAKMT2ARAB9A | |
| Bromide SCHEMBL17845857 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4ECES2CES1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4201173 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4ECES2CES1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022257817-A1 | ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS | 清华大学 | 2022-12-15 | — | — | WO | disclosed |