Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 6/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24326275 | 1.00 | MAPT (0.41) | MAPTTACR1PARP1ALDH1A1CYP1A2 | |
| SCHEMBL24326389 | 1.00 | MAPT (0.41) | MAPTTACR1PARP1ALDH1A1CYP1A2 | |
| SCHEMBL27019640 | 1.00 | MAPT (0.41) | MAPTTACR1PARP1ALDH1A1CYP1A2 | |
| SCHEMBL24326128 | 0.82 | GAA (0.40) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24326179 | 0.82 | GAA (0.40) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24325785 | 0.82 | GAA (0.40) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24325780 | 0.82 | GAA (0.40) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24326185 | 0.82 | GAA (0.40) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24326692 | 0.81 | SIGMAR1 (0.41) | MAPTTACR1PARP1ALDH1A1MEN1 | |
| SCHEMBL24326693 | 0.81 | SIGMAR1 (0.41) | MAPTTACR1PARP1ALDH1A1MEN1 |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |