Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29878650 | 1.00 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28841248 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28841380 | 0.81 | F7 (0.37) | F7F3 | |
| SCHEMBL29879138 | 0.79 | ELANE (0.53) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28841240 | 0.79 | ELANE (0.53) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28841322 | 0.77 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL916072 | 0.75 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL914127 | 0.74 | KLK7 (0.51) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28841333 | 0.71 | DDR1 (0.40) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA | |
| SCHEMBL28493807 | 0.69 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPOLBLMNA |
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-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |