Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.47 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 2/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | 0.76 | LTA4H (0.52) | MAOAMAOB | |
| SCHEMBL11782799 | 0.76 | ASIC3 (0.69) | LOXL2ASIC3TAAR1MAOB | |
| SCHEMBL3393241 | 0.73 | EPHX1 (0.50) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL131351 | 0.71 | SLC6A2 (0.54) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Benzylamine SCHEMBL5481672 | 0.68 | LOXL2 (1.00) | LOXL2TAAR1SLC6A2SIGMAR1MAOA | |
| Benzylamine SCHEMBL10707644 | 0.68 | LOXL2 (1.00) | LOXL2TAAR1SLC6A2SIGMAR1MAOA | |
| Benzylamine SCHEMBL373 | 0.68 | — | — | |
| SCHEMBL19242392 | 0.68 | LOXL2 (1.00) | LOXL2TAAR1SLC6A2SIGMAR1MAOA | |
| Benzylamine SCHEMBL1331207 | 0.68 | — | — | |
| SCHEMBL12279680 | 0.67 | ASIC3 (0.68) | LOXL2ASIC3TAAR1MAOBCYP2D6 |
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 |