Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | IDH1 | O75874 | 2/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22828724 | 0.94 | HDAC4 (0.41) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL25990342 | 0.87 | HDAC4 (0.41) | HDAC4HDAC6IDH1GPR119STS | |
| SCHEMBL22828723 | 0.84 | KHK (0.39) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL22828466 | 0.83 | MAPT (0.43) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL25990350 | 0.81 | HDAC4 (0.41) | KHKHDAC4HDAC6IDH1IDH2 | |
| SCHEMBL25990324 | 0.81 | MAPT (0.37) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL22828720 | 0.80 | CYP1A2 (0.38) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL22828248 | 0.78 | KHK (0.36) | MAPTALDH1A1HPGDKHKCYP1A2 | |
| SCHEMBL25990338 | 0.77 | MAPT (0.37) | MAPTMEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL25990440 | 0.77 | MAP3K12 (0.35) | MAPTALDH1A1HPGDKHKHDAC4 |
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-3983404-B1 | DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS | LILLY CO ELI (US) | 2023-08-09 | — | — | EP | disclosed |
| WO-2020257171-A1 | DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2020-12-24 | — | — | WO | disclosed |