Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520305 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL27909482 | 0.79 | ALDH1A1 (0.72) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL22567 | 0.79 | ALDH1A1 (0.72) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| Nitric Acid SCHEMBL27633027 | 0.76 | CES1 (0.64) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL27986433 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL27830410 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL27844585 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| Water SCHEMBL27300423 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| Hydrogen Sulfide SCHEMBL27319417 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 | |
| SCHEMBL27813527 | 0.76 | ALDH1A1 (0.68) | ALDH1A1HSD17B10ACHELMNAMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178254-B | Method for preparing 2-trifluoromethyl quinoline | 南通大学 | 2023-10-03 | — | — | CN | claimed |
| CN-116178254-A | Method for preparing 2-trifluoromethyl quinoline | 南通大学 | 2023-05-30 | — | — | CN | claimed |
| CN-116178254-B | Method for preparing 2-trifluoromethyl quinoline | 南通大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-116178254-A | Method for preparing 2-trifluoromethyl quinoline | 南通大学 | 2023-05-30 | — | — | CN | disclosed |