Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28032790 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CA1CA2SLC2A1 | |
| SCHEMBL28032287 | 0.80 | CES1 (0.44) | ALDH1A1HTTLMNACES2CES1 | |
| SCHEMBL31403213 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CA1CA2SLC2A1 | |
| SCHEMBL4102909 | 0.74 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CA1CA2LMNA | |
| SCHEMBL28883199 | 0.73 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL19866849 | 0.72 | CES2 (0.52) | ALDH1A1CYP1A2CA1CA2SLC2A1 | |
| SCHEMBL6554648 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CA1CA2CES2 | |
| SCHEMBL28729428 | 0.71 | CA1 (0.50) | ALDH1A1CYP1A2CA1CA2SLC2A1 | |
| SCHEMBL8860052 | 0.71 | CES2 (0.65) | ALDH1A1CYP1A2CA1CA2LMNA | |
| SCHEMBL24372066 | 0.70 | CES2 (0.53) | ALDH1A1CYP1A2CA1CA2SLC2A1 |
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-104945294-A | Compound containing trifluoromethylthio group and preparation method thereof | SHANGHAI INST ORGANIC CHEM | 2015-09-30 | — | — | CN | disclosed |