Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895364 | 1.00 | TAS2R14 (0.61) | TAS2R14ALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL17895384 | 0.83 | TAS2R14 (0.65) | TAS2R14ALDH1A1SMN1; SMN2LMNATSHR | |
| SCHEMBL3143902 | 0.81 | ACHE (0.65) | ALDH1A1SMN1; SMN2LMNAHTTMAPT | |
| SCHEMBL3157646 | 0.79 | CYP1A2 (0.59) | ALDH1A1SMN1; SMN2MAPTCYP19A1PTGS2 | |
| SCHEMBL5167300 | 0.77 | MMP1 (0.50) | TAS2R14ALDH1A1SMN1; SMN2MAPTMMP1 | |
| Hydrochloric Acid SCHEMBL27940294 | 0.76 | KMT2A (0.51) | ALDH1A1SMN1; SMN2LMNAHTTMAPT | |
| SCHEMBL1279106 | 0.76 | TAS2R14 (1.00) | TAS2R14MEN1KMT2A | |
| SCHEMBL8790287 | 0.75 | ACHE (0.53) | ALDH1A1SMN1; SMN2LMNAHTTMAPT | |
| SCHEMBL1279152 | 0.75 | TAS2R14 (1.00) | TAS2R14 | |
| SCHEMBL3153190 | 0.74 | CDC25C (0.67) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107624112-B | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 美国政府健康及人类服务部 | 2022-03-04 | — | — | CN | disclosed |