Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | FADS1 | O60427 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29086017 | 0.88 | ROCK2 (0.43) | ROCK2MCHR1 | |
| SCHEMBL29086023 | 0.84 | HSD11B1 (0.48) | KMT2ADRD2DRD3MGLLP2RX7 | |
| SCHEMBL29086020 | 0.82 | FADS1 (0.42) | ROCK2MAPTDRD2DRD3FADS1 | |
| SCHEMBL29086070 | 0.81 | ATM (0.48) | ROCK2KMT2AMGLLALOX5 | |
| SCHEMBL29086037 | 0.80 | MEN1 (0.44) | ROCK2KMT2AMGLL | |
| SCHEMBL8568624 | 0.78 | ROCK2 (0.56) | ROCK2MAPTKMT2ADRD2DRD3 | |
| SCHEMBL8285848 | 0.78 | ROCK2 (0.53) | ROCK2MAPTKMT2ADRD2DRD3 | |
| SCHEMBL8568619 | 0.78 | ROCK2 (0.56) | ROCK2MAPTKMT2ADRD2DRD3 | |
| SCHEMBL14301512 | 0.78 | ROCK2 (0.53) | ROCK2MAPTKMT2ADRD2DRD3 | |
| SCHEMBL29086043 | 0.77 | ALDH1A1 (0.45) | MAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117142918-B | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-117142918-A | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2023-12-01 | — | — | CN | disclosed |
| CN-116444412-A | Preparation method of chiral trifluoromethyl nitrogen heterocyclic compound | 北京师范大学 | 2023-07-18 | — | — | CN | disclosed |