Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1685086 | 0.91 | ALDH1A1 (0.47) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL8520372 | 0.90 | KDM4E (0.44) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL5854141 | 0.90 | ADRA2C (0.48) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL10824217 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL88415 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL2108826 | 0.85 | ALDH1A1 (0.46) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| Ethylene SCHEMBL173231 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| Water SCHEMBL8939878 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL2093909 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EADRA2CHTR1AADRA2A | |
| SCHEMBL3744643 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EADRA2CHTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009114981-A1 | PROCESS FOR PREPARING SULFOXIDE COMPOUNDS | CHENGDU LIKAI CHIRAL TECH CO., LTD (CN) | 2009-09-24 | — | — | WO | claimed |
| WO-2009114981-A1 | PROCESS FOR PREPARING SULFOXIDE COMPOUNDS | CHENGDU LIKAI CHIRAL TECH CO., LTD (CN) | 2009-09-24 | — | — | WO | disclosed |