Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL5420858 | 0.93 | TSHR (0.39) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL11668351 | 0.79 | GAA (0.42) | CYP1A2TSHRALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL5419195 | 0.77 | ALDH1A1 (0.53) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL11668452 | 0.77 | SSTR3 (0.34) | OPRM1OGFRL1 | |
| SCHEMBL5414937 | 0.76 | TSHR (0.38) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL5427095 | 0.76 | TSHR (0.44) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL5415334 | 0.76 | ALDH1A1 (0.36) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL11674036 | 0.75 | LMNA (0.38) | ALDH1A1OPRM1OGFRL1CYP2D6DRD2 | |
| SCHEMBL5420257 | 0.72 | ALDH1A1 (0.43) | CYP1A2TSHRALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL11597100 | 0.70 | OPRM1 (0.47) | TSHRALDH1A1CYP3A4CYP2C9ALOX15 |
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-2005016932-A1 | PYRANOBENZOTHIOPHENE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS | WYETH (US) | 2005-02-24 | — | — | WO | disclosed |