Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL17186960 | 0.92 | HDAC4 (0.41) | BACE1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL17187006 | 0.92 | TRPA1 (0.41) | BACE1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL17186778 | 0.90 | CNR1 (0.40) | BACE1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1513363 | 0.87 | SIGMAR1 (0.46) | BACE1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL16838121 | 0.84 | MAPK1 (0.43) | BACE1ALDH1A1CNR1OPRM1OPRD1 | |
| SCHEMBL23231961 | 0.83 | CA9 (0.43) | HDAC3HDAC1HDAC2HDAC6CES2 | |
| SCHEMBL17186833 | 0.82 | BACE1 (0.40) | BACE1CES2CES1HCAR3HCAR2 | |
| SCHEMBL3108178 | 0.80 | CCNT1 (0.40) | BACE1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL3384864 | 0.80 | CNR1 (0.46) | HCAR3HCAR2ALDH1A1CNR1OPRM1 | |
| SCHEMBL31071967 | 0.79 | HDAC4 (0.37) | BACE1HDAC3HDAC1HDAC2HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021071843-A1 | MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS | Pipeline Therapeutics, Inc. (US) | 2021-04-15 | — | — | WO | disclosed |
| EP-0472392-A2 | Optically active triazole derivatives and compositions | ZENECA LIMITED (GB) | 1992-02-26 | — | — | EP | disclosed |