Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9646427 | 0.82 | KDM4E (0.48) | BACE1ALDH1A1MAPK1KDM4EHPGD | |
| SCHEMBL27999560 | 0.81 | BACE1 (0.58) | BACE1ALDH1A1MAPK1PDE4APDE4B | |
| SCHEMBL8676657 | 0.81 | MAPK1 (0.60) | BACE1ALDH1A1MAPK1PDE4APDE4B | |
| SCHEMBL3786215 | 0.80 | BACE1 (0.57) | BACE1ALDH1A1MAPK1PDE4APDE4B | |
| SCHEMBL1358288 | 0.80 | KDM4E (0.63) | BACE1ALDH1A1MAPK1PDE4APDE4B | |
| SCHEMBL10596845 | 0.79 | MAPK1 (0.57) | BACE1ALDH1A1MAPK1PDE4APDE4B | |
| Acetic Acid Methyl Ester SCHEMBL27618183 | 0.77 | ALDH1A1 (0.63) | BACE1ALDH1A1MAPK1KDM4EHPGD | |
| SCHEMBL30317545 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL1642224 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1PDE4APDE4BPDE4C | |
| SCHEMBL28032808 | 0.76 | BACE1 (0.53) | BACE1ALDH1A1MAPK1PDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| CN-104860951-A | Modulators of 5-HT receptors and methods of use thereof | AbbVie Deutschland GmbH and Co KG | 2015-08-26 | — | — | CN | disclosed |