Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18711622 | 0.88 | USP2 (0.46) | ALDH1A1CYP2C19MAPK1CYP3A4HIF1A | |
| SCHEMBL18711508 | 0.84 | SMN1; SMN2 (0.43) | ALDH1A1CYP2C19MAPK1CYP3A4HIF1A | |
| SCHEMBL26832959 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL5986519 | 0.81 | OPRM1 (0.54) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL23995696 | 0.81 | CYP2D6 (0.40) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL8029490 | 0.79 | DPP4 (0.45) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL16852620 | 0.78 | CYP3A4 (0.53) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL24597263 | 0.77 | CYP2D6 (0.42) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL23763347 | 0.76 | CYP1A2 (0.52) | ALDH1A1CYP2C19MAPK1OPRM1OPRL1 | |
| SCHEMBL6233534 | 0.76 | CYP3A4 (0.51) | ALDH1A1CYP2C19OPRM1OPRL1CYP3A4 |
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-2023023631-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-02-23 | — | — | WO | disclosed |