Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL21588829 | 1.00 | NPC1 (0.41) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL28957746 | 0.87 | NPC1 (0.39) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL30273459 | 0.85 | NPC1 (0.48) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL28957738 | 0.85 | NPC1 (0.48) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL31549995 | 0.80 | NPC1 (0.43) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL31549996 | 0.78 | NPC1 (0.50) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL21588932 | 0.77 | NPC1 (0.40) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL28957694 | 0.77 | NPC1 (0.49) | NPC1RAB9APKMGRM1KDM4E | |
| SCHEMBL16324711 | 0.74 | PARP1 (0.34) | GRM1 | |
| SCHEMBL16322318 | 0.74 | PARP1 (0.38) | — |
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-115701423-A | Preparation method of trifluoroethyl sulfide (sulfoxide) substituted benzene compound and intermediate thereof | 沈阳化工大学 | 2023-02-10 | — | — | CN | disclosed |