Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30360640 | 0.89 | CA2 (0.48) | TSHRALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL168783 | 0.89 | CA2 (0.48) | TSHRALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2335231 | 0.79 | TSHR (0.57) | TSHRALDH1A1GAAKDM4ESMN1; SMN2 | |
| SCHEMBL9699306 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1CYP3A4ERN1TDP1 | |
| SCHEMBL27921460 | 0.79 | ALDH1A1 (0.58) | TSHRALDH1A1CYP1A2CYP3A4ERN1 | |
| SCHEMBL3578998 | 0.76 | ALDH1A1 (0.47) | TSHRALDH1A1CYP1A2CYP3A4CA1 | |
| SCHEMBL5974207 | 0.76 | MAOB (0.55) | TSHRALDH1A1CA2MAPK1GAA | |
| SCHEMBL23375945 | 0.75 | KDM4E (0.54) | TSHRALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL5027104 | 0.75 | PDE4B (0.40) | ALDH1A1CYP1A2CA12CA1CA2 | |
| SCHEMBL1823391 | 0.75 | PDE4A (0.48) | TSHRALDH1A1PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| CN-101631788-A | 8-alkynyl xanthine and derivative | SANOL ARZNEI SCHWARZ GMBH | 2010-01-20 | — | — | CN | disclosed |