Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750726 | 0.86 | HTR2B (0.44) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28988200 | 0.82 | ALDH1A1 (0.41) | CSNK2A1PLK3ALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL4489979 | 0.79 | MAOA (0.48) | CSNK2A1PLK3ALDH1A1NPC1RAB9A | |
| SCHEMBL27692974 | 0.76 | MAPT (0.49) | ALDH1A1LMNAMEN1POLBKMT2A | |
| SCHEMBL6873731 | 0.76 | CASP1 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL5705050 | 0.74 | CASP1 (0.42) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28016402 | 0.72 | DYRK1B (0.35) | DYRK1BDYRK1A | |
| Hydrochloric Acid SCHEMBL15910683 | 0.71 | DYRK1B (0.33) | CSNK2A1PLK3ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL9519557 | 0.71 | CD44 (0.37) | CSNK2A1PLK3ALDH1A1CYP3A4TSHR | |
| SCHEMBL6068046 | 0.71 | MAOA (0.39) | ALDH1A1SMN1; SMN2CYP3A4TSHRMAPK1 |
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-104592069-A | 1,3,5-tris(4-aminophenylmercapto)benzene as well as preparation method and application thereof | UNIV JILIN | 2015-05-06 | — | — | CN | disclosed |