Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22410800 | 0.87 | ALDH1A1 (0.54) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL14500099 | 0.85 | ALDH1A1 (0.51) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL20766600 | 0.83 | ALDH1A1 (0.54) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL2502183 | 0.83 | ALDH1A1 (0.50) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3656263 | 0.83 | ALDH1A1 (0.50) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL18703592 | 0.83 | ALDH1A1 (0.50) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL17524486 | 0.82 | LMNA (0.51) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL24070496 | 0.81 | CA1 (0.49) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL18284564 | 0.81 | CA1 (0.49) | ALDH1A1CA1CA2CA12CA7 | |
| Hydrochloric Acid SCHEMBL3649465 | 0.81 | LMNA (0.50) | ALDH1A1PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020243135-A1 | FUSED HETEROCYCLIC DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-12-03 | — | — | WO | disclosed |
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |