Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684716 | 0.81 | S1PR1 (0.49) | S1PR1S1PR3ALDH1A1MAPTNPSR1 | |
| SCHEMBL31447876 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPTNPSR1HTTNPC1 | |
| SCHEMBL30445175 | 0.77 | TSHR (0.38) | MAPTHTTMAPK1L3MBTL1JMJD6 | |
| SCHEMBL25360396 | 0.76 | OPRK1 (0.40) | S1PR1S1PR3ALDH1A1MAPTNPSR1 | |
| SCHEMBL4184662 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPTNPSR1HTTNPC1 | |
| SCHEMBL20774840 | 0.75 | S1PR1 (0.38) | S1PR1S1PR3ALDH1A1MAPTNPSR1 | |
| SCHEMBL22866555 | 0.72 | AGBL2 (0.33) | — | |
| SCHEMBL31161564 | 0.72 | DGAT1 (0.40) | S1PR1S1PR3ALDH1A1MAPTNPSR1 | |
| SCHEMBL31675887 | 0.72 | ALDH1A1 (0.34) | ALDH1A1MAPTNPSR1HTTNPC1 | |
| SCHEMBL29560210 | 0.72 | AGBL2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112094227-B | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-112094227-A | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2020-12-18 | — | — | CN | claimed |
| CN-112094227-B | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-112094227-B | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-112094227-A | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-112094227-A | Synthesis method of 1- (5-chloro-3-fluoropyridin-2-yl) ethylamine | 凯美克(上海)医药科技有限公司 | 2020-12-18 | — | — | CN | disclosed |