Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL775769 | 0.85 | — | — | |
| SCHEMBL4533395 | 0.76 | PTGS2 (0.46) | ALDH1A1MAPK1TAAR1HSD17B10HDAC1 | |
| SCHEMBL2392317 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL16893842 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPK1TAAR1KIF11CYP1A2 | |
| SCHEMBL6076179 | 0.74 | MAOA (0.60) | ALDH1A1TAAR1CYP3A4HSD17B10TDP1 | |
| SCHEMBL12432111 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPK1TAAR1CYP1A2HDAC1 | |
| SCHEMBL16167237 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL23430128 | 0.73 | ALDH1A1 (0.69) | ALDH1A1MAPK1TAAR1KIF11CYP1A2 | |
| SCHEMBL21415498 | 0.72 | ALDH1A1 (0.50) | ALDH1A1MAPK1TAAR1KIF11CYP1A2 | |
| SCHEMBL14303351 | 0.72 | MAOA (0.44) | ALDH1A1LMNATSHRHTTIDO1 |
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-109824559-B | Method for synthesizing aryl-fluoro methylthio compound from Bunte salt | 南京理工大学 | 2021-03-02 | — | — | CN | disclosed |