Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL9507665 | 0.89 | CD44 (0.46) | CD44CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL9508103 | 0.89 | CD44 (0.46) | CD44CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL9510026 | 0.85 | AHR (0.39) | CYP3A4MAPK1AHR | |
| SCHEMBL11427006 | 0.85 | CYP3A4 (0.35) | CYP3A4MAPK1 | |
| SCHEMBL9698315 | 0.76 | PRKCE (0.31) | — | |
| SCHEMBL172591 | 0.75 | CD44 (0.45) | CD44CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL3422095 | 0.72 | MAOA (0.42) | CYP3A4CHRM1ALOX15MAOAADRA1A | |
| SCHEMBL9508168 | 0.70 | CYP2A6 (0.39) | MAPK1 | |
| SCHEMBL10652247 | 0.69 | AHR (0.44) | CD44CYP3A4AHR | |
| SCHEMBL811040 | 0.67 | CD44 (0.39) | CD44CYP3A4CHRM1ALOX15MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-4069264-A | CHLORINE, LEWIS ACID CATALYST, THIANTHRENE COMPOUND AS CO-CATALYST | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1978-01-17 | — | — | US | disclosed |