Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 11/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL3865098 | 0.85 | PTGS2 (0.62) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3873376 | 0.80 | PTGS2 (1.00) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6729587 | 0.77 | PTGS1 (0.69) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL8386057 | 0.77 | PTGS2 (0.65) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6722072 | 0.76 | PTGS1 (0.67) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6742866 | 0.75 | PTGS2 (0.66) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6735299 | 0.74 | PTGS2 (0.72) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6732461 | 0.74 | PTGS2 (0.61) | PTGS1PTGS2ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL2644702 | 0.73 | PTGS1 (0.62) | PTGS1PTGS2 | |
| SCHEMBL9195197 | 0.72 | PTGS1 (0.66) | PTGS1PTGS2NR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6274590-B1 | ADMINISTERING 3,4-DIARYLTHIOPHENE DERIVATIVE TO TREAT ECZEMA, BURNS, PSORIASIS, AND DERMATITIS | G. D. SEARLE & CO. | 2001-08-14 | — | — | US | disclosed |