Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17775541 | 0.80 | MAPT (0.49) | ALDH1A1KDM4EHPGDACHEBACE1 | |
| SCHEMBL14667533 | 0.79 | MAPT (0.52) | ALDH1A1IDO1KDM4EHPGD | |
| SCHEMBL21209779 | 0.79 | MAPT (0.52) | ALDH1A1IDO1KDM4EHPGD | |
| SCHEMBL22360340 | 0.78 | CHRM2 (0.53) | ALDH1A1TAAR1IDO1MMP13KDM4E | |
| SCHEMBL13663832 | 0.77 | MEN1 (0.44) | ALDH1A1IDO1KDM4EHPGDHSD17B10 | |
| SCHEMBL1038988 | 0.77 | KDM4E (0.54) | ALDH1A1CYP2D6TAAR1IDO1MMP13 | |
| SCHEMBL30028184 | 0.77 | KDM4E (0.54) | ALDH1A1CYP2D6TAAR1IDO1MMP13 | |
| SCHEMBL23331296 | 0.76 | CYP19A1 (0.43) | ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL9737112 | 0.74 | TAAR1 (0.54) | ALDH1A1CYP2D6TAAR1IDO1MMP13 | |
| SCHEMBL13373203 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2D6TAAR1IDO1MMP13 |
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-2020167976-A1 | THIENO[3,2-B] PYRROLE[3,2-D]PYRIDAZINONE DERIVATIVES AND THEIR USE AS PKM2 DERIVATIVES FOR THE TREATMENT OF CANCER, OBESITY AND DIABETES RELATED DISORDERS | AGIOS PHARMACEUTICALS, INC. (US) | 2020-08-20 | — | — | WO | disclosed |