Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | EDNRB | P24530 | 6/20 | 0.49 |
| ▸ | EDNRA | P25101 | 6/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | IL1RN | P18510 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8474339 | 0.85 | EDNRB (0.54) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL6435523 | 0.85 | ALDH1A1 (0.63) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8473411 | 0.84 | PTGS2 (0.51) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8478994 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8476201 | 0.83 | PTGS2 (0.56) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8478624 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8473859 | 0.82 | PTGS2 (0.53) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8475016 | 0.81 | ALDH1A1 (0.49) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8476395 | 0.81 | ALDH1A1 (0.49) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8475895 | 0.81 | PTGS2 (0.54) | ALDH1A1NPSR1MT-CO2PTGS2TSHR |
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-2003089013-A1 | CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-10-30 | — | — | WO | disclosed |