Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 3/20 | 0.38 |
| ▸ | ECE1 | P42892 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7962305 | 1.00 | GHSR (0.38) | GHSRECE1MEN1KMT2AMME | |
| SCHEMBL7974057 | 0.80 | GLA (0.34) | GHSRMEN1KMT2AGLATSHR | |
| SCHEMBL3707997 | 0.79 | GHSR (0.46) | GHSRGLATSHRCYP1A2CYP2D6 | |
| SCHEMBL3703216 | 0.79 | GHSR (0.46) | GHSRGLATSHRCYP1A2CYP2D6 | |
| SCHEMBL3703214 | 0.79 | GHSR (0.46) | GHSRGLATSHRCYP1A2CYP2D6 | |
| SCHEMBL7976208 | 0.78 | GHSR (0.48) | GHSRMEN1KMT2ATSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL8924050 | 0.72 | GHSR (0.51) | GHSRCYP1A2CYP2D6NAALAD2CTSC | |
| SCHEMBL7962514 | 0.69 | ECE1 (0.44) | ECE1MEN1KMT2AMMECYP19A1 | |
| SCHEMBL7541164 | 0.67 | CNR2 (0.43) | CYP19A1ALDH1A1SLC6A2SLC6A3 | |
| SCHEMBL8933294 | 0.66 | ALDH1A1 (0.45) | MEN1KMT2ATSHRKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001077095-A2 | DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |