Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | NMT1 | P30419 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026009 | 0.86 | ALDH1A1 (0.63) | ALDH1A1NMT1TSHRHTR2CCYP2C19 | |
| SCHEMBL28330828 | 0.85 | ALDH1A1 (0.58) | ALDH1A1GBA1NMT1ITGB3ITGA2B | |
| SCHEMBL28299374 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GBA1NMT1TSHRHTR2C | |
| SCHEMBL28823467 | 0.84 | ALDH1A1 (0.56) | ALDH1A1GBA1NMT1ITGB3ITGA2B | |
| Piperazine SCHEMBL28816742 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| SCHEMBL28832220 | 0.84 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CCYP2C19 | |
| SCHEMBL28049319 | 0.83 | ALDH1A1 (0.63) | ALDH1A1NMT1TSHRHTR2CCYP2C19 | |
| SCHEMBL28073264 | 0.81 | ALDH1A1 (0.59) | ALDH1A1NMT1TSHRHTR2CSMN1; SMN2 | |
| Pyrrolidine SCHEMBL28053584 | 0.81 | ALDH1A1 (0.73) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 | |
| Azetidine SCHEMBL28049251 | 0.81 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2SLC6A3 |
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-102947285-B | Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases | ABBVIE (US) | 2015-08-26 | — | — | CN | disclosed |