Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 19/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21032723 | 0.92 | PTGDR2 (0.66) | PTGDR2PTGS1CYP2C9SLC6A4CYP2C19 | |
| SCHEMBL24179996 | 0.92 | PTGDR2 (0.60) | PTGDR2CYP2C9AKR1B1 | |
| SCHEMBL21031946 | 0.88 | PTGDR2 (0.53) | PTGDR2PTGS1CYP2C9SLC6A4CYP2C19 | |
| SCHEMBL21031945 | 0.85 | PTGDR2 (0.63) | PTGDR2PTGS1CYP2C9SLC6A4CYP2C19 | |
| SCHEMBL24180036 | 0.85 | PTGDR2 (0.63) | PTGDR2PTGS1CYP2C9SLC6A4CYP2C19 | |
| SCHEMBL21032143 | 0.85 | PTGDR2 (0.61) | PTGDR2PTGS1AKR1B1 | |
| SCHEMBL21032469 | 0.84 | PTGDR2 (0.60) | PTGDR2CYP2C9AKR1B1 | |
| SCHEMBL21031929 | 0.83 | PTGDR2 (0.64) | PTGDR2PTGS1CYP2C9SLC6A4CYP2C19 | |
| SCHEMBL24179951 | 0.83 | PTGDR2 (0.56) | PTGDR2CYP2C9AKR1B1 | |
| SCHEMBL21032474 | 0.83 | PTGDR2 (0.61) | PTGDR2PTGS1AKR1B1AKR1A1 |
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-3489233-A1 | INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2019-05-29 | — | — | EP | disclosed |