Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP12 | P39900 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ANPEP | P15144 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23353491 | 0.73 | LTA4H (0.52) | FFAR1MAOALAP3 | |
| SCHEMBL3393241 | 0.73 | EPHX1 (0.50) | EPHX1SLC6A4SLC6A3SLC6A2TAAR1 | |
| SCHEMBL131351 | 0.71 | SLC6A2 (0.54) | EPHX1SLC6A4SLC6A3SLC6A2TAAR1 | |
| SCHEMBL21183960 | 0.70 | MAOA (0.39) | FFAR1MAOA | |
| SCHEMBL3285416 | 0.69 | EPHX1 (0.50) | EPHX1SLC6A4SLC6A3SLC6A2TAAR1 | |
| SCHEMBL717468 | 0.69 | APP (0.67) | MMP2MMP9MMP12FFAR1 | |
| SCHEMBL18867945 | 0.69 | APP (0.67) | MMP2MMP9MMP12FFAR1 | |
| Hydrochloric Acid SCHEMBL9205510 | 0.68 | EPHX1 (0.48) | EPHX1SLC6A4SLC6A3SLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL5612693 | 0.68 | MMP2 (0.38) | MMP2MMP9MMP12FFAR1 | |
| Bromide SCHEMBL25415662 | 0.68 | MMP2 (0.38) | MMP2MMP9MMP12FFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105481699-B | A kind of method for synthesizing the propargylamine derivative for containing different substituents at alkynes end | 复旦大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105481699-A | Method for synthesizing propargylamine derivative with different substituent groups at alkyne terminal | UNIV FUDAN | 2016-04-13 | — | — | CN | disclosed |