Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | DDX3X | O00571 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4473434 | 1.00 | EGFR (0.36) | EGFRALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL4472375 | 0.87 | HTR2A (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL13627331 | 0.87 | HTR2A (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL4472041 | 0.87 | HTR2A (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL13627345 | 0.86 | UTS2R (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL4488827 | 0.86 | UTS2R (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL4482834 | 0.84 | BRAF (0.34) | ALDH1A1KDM4ECYP3A4MAP4K1MEN1 | |
| SCHEMBL13627342 | 0.84 | BRAF (0.34) | ALDH1A1KDM4ECYP3A4MAP4K1MEN1 | |
| SCHEMBL4482987 | 0.79 | EPHA2 (0.37) | EGFRKDM4EHTR2CP2RX7 | |
| SCHEMBL4482788 | 0.79 | EPHA2 (0.37) | EGFRKDM4EHTR2CP2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| US-7618980-B2 | Pyrrolo(oxo)quinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-17 | — | — | US | disclosed |
| US-7618980-B2 | Pyrrolo(oxo)quinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-17 | — | — | US | disclosed |