Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EDNRB | P24530 | 5/20 | 0.46 |
| ▸ | EDNRA | P25101 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL8474183 | 0.90 | ALDH1A1 (0.49) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL6435523 | 0.87 | ALDH1A1 (0.63) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8477494 | 0.87 | ALDH1A1 (0.46) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8473859 | 0.86 | PTGS2 (0.53) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8475736 | 0.85 | ALDH1A1 (0.59) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8473536 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| Benzenesulfonamide SCHEMBL7180310 | 0.81 | PTGS2 (0.62) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8477521 | 0.81 | ALDH1A1 (0.58) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL6169842 | 0.81 | PTGS2 (0.47) | ALDH1A1NPSR1MT-CO2PTGS2TSHR | |
| SCHEMBL8476183 | 0.81 | KMO (0.51) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932598-A | NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS | G. D. SEARLE & CO. (US) | 1999-08-03 | — | — | US | disclosed |
| US-5859257-A | ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS | G. D. SEARLE & CO. (US) | 1999-01-12 | — | — | US | disclosed |