Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28320482 | 0.79 | BACE1 (0.43) | BACE1HDAC1HDAC2NOS3NOS1 | |
| SCHEMBL20092559 | 0.78 | AKR1A1 (0.30) | AKR1A1AKR1B1 | |
| SCHEMBL20073548 | 0.77 | CYP19A1 (0.39) | BACE1HDAC1HDAC2HDAC3 | |
| SCHEMBL20073632 | 0.75 | BACE1 (0.38) | BACE1HDAC1HDAC2HDAC3NOS3 | |
| SCHEMBL20150204 | 0.73 | CYP19A1 (0.43) | BACE1HDAC1HDAC2ACMSD | |
| SCHEMBL29653784 | 0.73 | BACE1 (0.44) | BACE1HDAC1HDAC2HDAC3ACMSD | |
| SCHEMBL9108966 | 0.73 | BACE1 (0.44) | BACE1HDAC1HDAC2HDAC3ACMSD | |
| SCHEMBL22298075 | 0.72 | CYP3A4 (0.45) | BACE1HDAC1HDAC2HDAC3ACMSD | |
| SCHEMBL11896445 | 0.70 | BACE1 (0.44) | BACE1HDAC1HDAC2HDAC3NOS3 | |
| SCHEMBL29686281 | 0.70 | TYK2 (0.42) | HDAC1HDAC2HDAC3 |
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-2018071794-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2018-04-19 | — | — | WO | disclosed |