Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27140868 | 0.84 | NPC1 (0.49) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL28899671 | 0.83 | HPGD (0.47) | PARP1KMT2AMEN1CHRNB2SLC6A2 | |
| SCHEMBL28467483 | 0.82 | MAPT (0.39) | CES2CES1ALDH1A1RAB9AADRB2 | |
| SCHEMBL28370805 | 0.82 | SMN1; SMN2 (0.45) | KMT2AMEN1LMNAALDH1A1RAB9A | |
| SCHEMBL8020983 | 0.78 | CES2 (0.57) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL28472464 | 0.77 | CES2 (0.45) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL30678282 | 0.77 | NPC1 (0.56) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL8759589 | 0.77 | NPC1 (0.56) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL28468682 | 0.77 | CES2 (0.55) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL14638890 | 0.75 | CA12 (0.36) | KMT2AMEN1CHRNB2SLC6A2CHRNB4 |
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-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | claimed |
| CN-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | disclosed |