Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14142280 | 0.86 | CYP1A2 (0.34) | TSHR | |
| SCHEMBL7702892 | 0.82 | TSHR (0.34) | TSHRPTGS2PTGS1 | |
| SCHEMBL8176945 | 0.81 | TSHR (0.33) | TSHRPTGS2PTGS1 | |
| SCHEMBL8180230 | 0.80 | KIF11 (0.46) | — | |
| SCHEMBL9731437 | 0.77 | PTGS2 (0.37) | PTGS2CYP2D6CYP2C9HPGDALOX15 | |
| SCHEMBL10890018 | 0.75 | ALDH1A1 (0.34) | TSHRPTGS2CYP2D6CYP2C9HPGD | |
| SCHEMBL7708203 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL28154024 | 0.72 | CA2 (0.44) | TSHRPTGS2HPGDPTGS1 | |
| SCHEMBL8204676 | 0.68 | ALDH1A1 (0.35) | TSHRALOX15HSD17B10 | |
| SCHEMBL17907277 | 0.68 | SMN1; SMN2 (0.39) | CYP2C9CYP2C19 |
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-6080763-A | INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES, E.G., TUMOR NECROSIS FACTOR AND INTERLEUKIN-1; USEFUL TO TREAT CHRONIC INFLAMMATORY DISEASE; AUTOIMMUNE DISEASES, E.G. RHEUMATOID ARTHRITIS, OSTEOPOROSIS; PYRAZOLYLUREAS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-06-27 | — | — | US | disclosed |