Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 6/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6285589 | 0.82 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL12287584 | 0.82 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL6145383 | 0.78 | ADRA2A (0.63) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL2985234 | 0.76 | LMNA (0.43) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL2670073 | 0.73 | ADRA2A (0.69) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL29836188 | 0.73 | ADRA2A (0.69) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| SCHEMBL1704057 | 0.73 | ADRB2 (0.65) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| Racepinephrine SCHEMBL3815 | 0.72 | KDM4E (1.00) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| Racepinephrine SCHEMBL20493843 | 0.72 | KDM4E (1.00) | ADRA2AADRA2BADRA2CADRA1ATDP1 | |
| L-Adrenaline SCHEMBL11647 | 0.72 | KDM4E (1.00) | ADRA2AADRA2BADRA2CADRA1ATDP1 |
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-112752760-B | Heterocyclic compounds | 武田药品工业株式会社 | 2024-01-19 | — | — | CN | disclosed |