Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1356196 | 0.83 | ADRA2A (0.52) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL28048494 | 0.82 | ADRA2A (0.51) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL7215968 | 0.75 | ADRA2A (0.46) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL7324843 | 0.74 | ADRA2A (0.45) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL1010394 | 0.74 | ADRA2A (0.49) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL9593660 | 0.73 | ADRA2A (0.44) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL8012751 | 0.72 | ADRA2A (0.46) | ADRA2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL7215973 | 0.72 | ADRA2A (0.43) | ADRA2ANPC1RAB9AALDH1A1SLC18A3 | |
| SCHEMBL8314704 | 0.72 | NPC1 (0.51) | NPC1RAB9AALDH1A1HPGDSLC18A3 | |
| Hydrochloric Acid SCHEMBL7333875 | 0.71 | ADRA2A (0.42) | ADRA2ANPC1RAB9AALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103619814-B | Amino-pyrroline derivatives and their use in the prevention and/or treatment of metabolic syndrome | UNIVERSITE DE STRASBOURG (FR) | 2016-01-20 | — | — | CN | disclosed |