Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20753820 | 0.84 | ALDH1A1 (0.51) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29370584 | 0.79 | CHRM2 (0.68) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL297410 | 0.79 | CHRM2 (0.68) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL22360336 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MMP13KDM4ETAAR1IDO1 | |
| SCHEMBL1134127 | 0.77 | CHRM2 (0.74) | CHRM2ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL11831753 | 0.76 | CHRM2 (0.51) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11831743 | 0.76 | CHRM2 (0.51) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18685365 | 0.75 | CHRM2 (0.62) | CHRM2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7738530 | 0.75 | CHRM2 (0.62) | CHRM2ALDH1A1MEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL6122475 | 0.75 | CHRM2 (0.72) | CHRM2ALDH1A1MEN1KMT2AHTT |
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 |