Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | PPOX | P50336 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9503458 | 0.81 | CYP3A4 (0.51) | TDP1CYP3A4POLBGSK3BTSHR | |
| SCHEMBL19358248 | 0.79 | CYP3A4 (0.46) | TDP1CYP3A4POLBPPOXGSK3B | |
| SCHEMBL8098610 | 0.79 | TDP1 (0.46) | TDP1CYP3A4POLBGSK3BTSHR | |
| SCHEMBL28133852 | 0.79 | CYP3A4 (0.46) | TDP1CYP3A4POLBGSK3BTSHR | |
| SCHEMBL768176 | 0.79 | TDP1 (0.46) | TDP1CYP3A4POLBGSK3BTSHR | |
| SCHEMBL571851 | 0.79 | CYP3A4 (0.42) | TDP1CYP3A4POLBPPOXGSK3B | |
| SCHEMBL9453357 | 0.76 | SMN1; SMN2 (0.51) | TDP1CYP3A4POLBGSK3BBCHE | |
| SCHEMBL28869824 | 0.76 | CYP3A4 (0.42) | TDP1CYP3A4POLBGSK3BBCHE | |
| SCHEMBL2653647 | 0.76 | CYP3A4 (0.42) | TDP1CYP3A4POLBGSK3BTSHR | |
| SCHEMBL30050991 | 0.75 | SMN1; SMN2 (0.61) | TDP1CYP3A4POLBGSK3BSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105523988-B | Preparation method of α -trifluoromethylthio- β -aminoketone, ester, nitrile or amide compound and α -trifluoromethylthio- β -amino acid | 南方科技大学 | 2018-05-15 | — | — | CN | disclosed |
| CN-105523988-A | Preparation method of alpha-trifluoromethylthio-beta-aminoketone, ester, nitrile or amide compound and alpha-trifluoromethylthio-beta-amino acid | UNIV SOUTH SCIENCE & TECHNOLOGY CHINA | 2016-04-27 | — | — | CN | disclosed |