Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29076990 | 0.88 | KDM4E (0.52) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL29076952 | 0.86 | KDM4E (0.51) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL29076989 | 0.85 | KDM4E (0.50) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL29076968 | 0.84 | KDM4E (0.50) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL29077000 | 0.82 | KDM4E (0.64) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL27485780 | 0.80 | KDM4E (0.60) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL3803556 | 0.79 | KDM4E (0.53) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL6731339 | 0.78 | KDM4E (0.64) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL3795112 | 0.77 | KDM4E (0.51) | KDM4ENPSR1IDO1MAPTALDH1A1 | |
| SCHEMBL20845571 | 0.77 | MAOB (0.42) | KDM4ENPSR1ALDH1A1MAOAMAOB |
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-115466212-B | 2-trifluoromethyl quinoline compound and synthetic method and application thereof | 河南农业大学 | 2023-09-22 | — | — | CN | claimed |