Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | GFER | P55789 | 2/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16090967 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL26033522 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL26032362 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRRECQLTDP1 | |
| SCHEMBL19904030 | 0.85 | TSHR (0.49) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL14948666 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL13206328 | 0.79 | ESRRG (0.42) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL19903970 | 0.77 | TSHR (0.49) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL14679866 | 0.76 | THRB (0.43) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL23729379 | 0.75 | TSHR (0.47) | ALDH1A1CYP3A4TSHRGFERPSMD14 | |
| SCHEMBL16090964 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4RECQLTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3366668-B1 | PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES | ALKERMES PHARMA IRELAND LTD (IE) | 2023-06-21 | — | — | EP | disclosed |