Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8601382 | 0.90 | KMT2A (0.39) | THRBCA2KMT2ASLC6A4 | |
| SCHEMBL8603129 | 0.83 | SLC6A4 (0.33) | SLC6A4 | |
| SCHEMBL8599557 | 0.76 | ALDH1A1 (0.43) | KDM4ECYP1A2CYP2C19KMT2A | |
| SCHEMBL20226624 | 0.75 | SCN9A (0.39) | TLR8KDM4ECA2PTGS2KMT2A | |
| SCHEMBL8878138 | 0.75 | PTGS2 (0.38) | KDM4ECA2CYP1A2PTGS2SLC6A4 | |
| SCHEMBL8603017 | 0.75 | NPC1 (0.31) | KMT2A | |
| SCHEMBL8598215 | 0.75 | GAA (0.35) | KMT2ASLC6A4 | |
| SCHEMBL8603132 | 0.75 | ALDH1A1 (0.41) | KDM4ECYP1A2CYP2C19KMT2A | |
| SCHEMBL8598851 | 0.74 | PTGS2 (0.33) | PTGS2SLC6A4 | |
| SCHEMBL8601218 | 0.74 | THRB (0.34) | THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0626370-B1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL CO (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |