Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | AOC2 | O75106 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL766879 | 0.92 | CA12 (0.41) | CA12CA1CA9CYP2D6CYP1A2 | |
| SCHEMBL1866143 | 0.88 | CA12 (0.42) | ALDH1A1MAPTGAACA12CA1 | |
| SCHEMBL4347000 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EGLAPOLB | |
| SCHEMBL10171748 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EGLAPOLB | |
| SCHEMBL2222219 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EGLAPOLB | |
| SCHEMBL244134 | 0.84 | CYP2D6 (0.43) | ALDH1A1GAACA12CA1CA9 | |
| SCHEMBL4035337 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA1CA9CYP2D6 | |
| SCHEMBL31662487 | 0.83 | CA12 (0.39) | ALDH1A1CA12CA1CA9CYP2D6 | |
| SCHEMBL15435305 | 0.82 | CA12 (0.37) | ALDH1A1MAPTKDM4EGLAPOLB | |
| SCHEMBL15435402 | 0.82 | CA12 (0.37) | ALDH1A1MAPTKDM4EGLAPOLB |
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-2023147418-A1 | PARP7 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2023-08-03 | — | — | WO | disclosed |