Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.56 |
| ▸ | CD44 | P16070 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9585427 | 0.98 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7431119 | 0.96 | CYP1A2 (0.57) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9090622 | 0.96 | CYP1A2 (0.62) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9587051 | 0.93 | CYP1A2 (0.61) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL9090028 | 0.90 | CYP1A2 (0.64) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL9870193 | 0.90 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL9870199 | 0.90 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7428380 | 0.90 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7428371 | 0.90 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL9870510 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0725068-A1 | INDOLE DERIVATIVE | TOKYO TANABE COMPANY LIMITED (JP) | 1996-08-07 | — | — | EP | disclosed |