Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3849035 | 1.00 | BACE1 (0.45) | BACE1ALDH1A1KDM1AHDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL15914203 | 0.98 | BACE1 (0.44) | BACE1ALDH1A1KDM1AHDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL29668792 | 0.98 | BACE1 (0.44) | BACE1ALDH1A1KDM1AHDAC3HDAC1 | |
| SCHEMBL15934486 | 0.92 | BACE1 (0.43) | BACE1ALDH1A1 | |
| SCHEMBL15934498 | 0.92 | BACE1 (0.43) | BACE1ALDH1A1KDM1A | |
| Hydrochloric Acid SCHEMBL18742430 | 0.90 | BACE1 (0.42) | BACE1ALDH1A1KDM1A | |
| SCHEMBL15934490 | 0.90 | BACE1 (0.42) | BACE1 | |
| SCHEMBL15934495 | 0.87 | BACE1 (0.40) | BACE1ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL15173415 | 0.83 | KDM1A (0.42) | ALDH1A1KDM1A | |
| Hydrochloric Acid SCHEMBL29669001 | 0.81 | PSEN1 (0.41) | ALDH1A1KDM1A |
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-114729044-A | Muscarinic acetylcholine M1Receptor antagonists | 帕珀莱恩医疗公司 | 2022-07-08 | — | — | CN | disclosed |