Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4477738 | 1.00 | TRPA1 (0.41) | TRPA1TRPM8ARCYP1A2CYP2C19 | |
| SCHEMBL13627327 | 0.80 | TRPA1 (0.42) | TRPA1TRPM8HTR2AHTR2CHTR2B | |
| SCHEMBL4482328 | 0.80 | TRPA1 (0.42) | TRPA1TRPM8HTR2AHTR2CHTR2B | |
| SCHEMBL4478989 | 0.80 | TRPA1 (0.42) | TRPA1TRPM8HTR2AHTR2CHTR2B | |
| SCHEMBL4477342 | 0.78 | TRPA1 (0.36) | TRPA1TRPM8ARHTR2AHTR2C | |
| SCHEMBL4472523 | 0.78 | TRPA1 (0.36) | TRPA1TRPM8ARHTR2AHTR2C | |
| SCHEMBL13627313 | 0.78 | TRPA1 (0.36) | TRPA1TRPM8ARHTR2AHTR2C | |
| SCHEMBL6217465 | 0.76 | CYP2C9 (0.42) | TRPA1TRPM8CYP1A2CYP2C19LMNA | |
| SCHEMBL4399620 | 0.70 | CHRNB4 (0.41) | HTR2AHTR2CHTR2B | |
| SCHEMBL13627346 | 0.70 | CHRNB4 (0.41) | HTR2AHTR2CHTR2B |
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 |