Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16438484 | 0.86 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL10090414 | 0.86 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL10090169 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL16435707 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL8955844 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL9749821 | 0.80 | SMN1; SMN2 (0.65) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL22221532 | 0.80 | POLB (0.57) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL8778485 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL10874003 | 0.80 | RAB9A (0.51) | CYP1A2CYP3A4CYP2C19BLMPMP22 | |
| SCHEMBL3868528 | 0.76 | PTGS2 (0.55) | CYP1A2CYP3A4CYP2C19BLMPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007081091-A1 | RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2007-07-19 | — | — | WO | disclosed |