Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7856507 | 0.80 | ALDH1A1 (0.41) | ALDH1A1DPP4SMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL19582705 | 0.78 | ALDH1A1 (0.39) | ALDH1A1DPP4SMN1; SMN2CYP2C19 | |
| SCHEMBL9300581 | 0.78 | ALDH1A1 (0.39) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL88005 | 0.78 | ALDH1A1 (0.54) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22032715 | 0.77 | — | — | |
| SCHEMBL8985064 | 0.75 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9245352 | 0.75 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8845450 | 0.75 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9487258 | 0.75 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2543501 | 0.75 | ALDH1A1 (0.52) | ALDH1A1DPP4SMN1; SMN2MEN1KMT2A |
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-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |