Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | TLR2 | O60603 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL27944437 | 0.81 | TLR2 (0.42) | SLC6A3SLC6A2TLR2ALDH1A1MAPT | |
| SCHEMBL27913357 | 0.80 | MAPT (0.39) | SLC6A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL14052753 | 0.79 | SLC6A3 (0.62) | SLC6A3SLC6A2SLC6A4MAPTKDM4E | |
| SCHEMBL27338997 | 0.78 | MCL1 (0.41) | SLC6A3SLC6A2SLC6A4ALDH1A1MAPT | |
| SCHEMBL28063639 | 0.78 | TLR2 (0.44) | SLC6A3SLC6A2SLC6A4TLR2ALDH1A1 | |
| SCHEMBL27552202 | 0.78 | HPRT1 (0.38) | SLC6A3SLC6A2ALDH1A1MAPTKDM4E | |
| Methoxymethane SCHEMBL28219434 | 0.76 | HPRT1 (0.47) | SLC6A2ALDH1A1MAPTCYP1A2LCK | |
| Acetic Acid SCHEMBL27295805 | 0.75 | ALDH1A1 (0.46) | SLC6A2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL27508487 | 0.75 | HPRT1 (0.45) | SLC6A2ALDH1A1MAPTHPGDCYP1A2 | |
| Bicarbonate SCHEMBL27702695 | 0.75 | HPRT1 (0.45) | SLC6A2ALDH1A1MAPTHPGDCYP1A2 |
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-1956968-A | Aryl glycinamide derivatives and their use as NK1 antagonists and 5-serotonin reuptake inhibithors | ASTRAZENECA AB (SE) | 2007-05-02 | — | — | CN | disclosed |