Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | PRNP | P04156 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22346720 | 0.89 | ALOX15 (0.53) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL333829 | 0.85 | ALOX15 (0.62) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL5392425 | 0.84 | ALDH1A1 (0.55) | KMT2AMAPTMEN1ALDH1A1GAA | |
| SCHEMBL29953042 | 0.83 | ALOX15 (0.60) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL29951480 | 0.83 | KMT2A (0.56) | KMT2AMAPTMEN1ALDH1A1GAA | |
| SCHEMBL15329883 | 0.83 | TUBB4A (0.57) | KMT2AMAPTMEN1ALDH1A1GAA | |
| SCHEMBL5402454 | 0.83 | ALOX15 (0.60) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL20570224 | 0.82 | MAPT (0.58) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL29955514 | 0.82 | RXFP1 (0.58) | KMT2AMAPTMEN1ALDH1A1CYP1A2 | |
| SCHEMBL5574039 | 0.81 | ALOX15 (0.61) | KMT2AMAPTMEN1ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3924056-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) | 2021-12-22 | — | — | EP | disclosed |
| 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 |