Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL12806555 | 0.86 | ESR1 (0.48) | ESR1ESR2GABRA1GABRB2ANO1 | |
| SCHEMBL5167762 | 0.84 | ALDH1A1 (0.59) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL12367664 | 0.83 | ESR1 (0.46) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL20811730 | 0.80 | DAO (0.40) | ESR1ESR2ARTAS1R3TAS1R1 | |
| SCHEMBL11932057 | 0.78 | ALDH1A1 (0.38) | ESR1ESR2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL24987667 | 0.77 | EPHX2 (0.42) | ESR1ESR2AR | |
| SCHEMBL11932055 | 0.76 | ESR1 (0.38) | ESR1ESR2KLF10TAS1R3TAS1R1 | |
| SCHEMBL26939102 | 0.74 | KIF11 (0.45) | ESR1ESR2KLF10ARTAS1R3 | |
| SCHEMBL15171112 | 0.74 | ESR1 (0.48) | ESR1ESR2ALDH1A1HPGDALOX15 | |
| SCHEMBL12806900 | 0.73 | THRB (0.43) | — |
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-2024148029-A2 | ORGANIC COMPOUNDS AS NLRP3 INHIBITORS | KODIAK SCIENCES INC. (US) | 2024-07-11 | — | — | WO | disclosed |