Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | TGM2 | P21980 | 2/20 | 0.44 |
| ▸ | PPOX | P50336 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817144 | 1.00 | CES1 (0.44) | CES1TGM2PPOXAHRCA12 | |
| SCHEMBL2719976 | 0.84 | CES1 (0.44) | CES1TGM2PPOXAHRCA12 | |
| SCHEMBL4753132 | 0.76 | TGM2 (0.44) | CES1TGM2AHRCA12CA1 | |
| SCHEMBL4382993 | 0.76 | TGM2 (0.44) | CES1TGM2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6264592 | 0.76 | CA1 (0.40) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1401519 | 0.76 | ROS1 (0.41) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1695075 | 0.76 | CA9 (0.38) | CA12CA9CYP3A4ALDH1A1TSHR | |
| SCHEMBL4750469 | 0.76 | CA1 (0.40) | CA12CA1CA2CA4CA7 | |
| SCHEMBL473854 | 0.76 | TGM2 (0.44) | CES1TGM2AHRCA12CA1 | |
| SCHEMBL6219325 | 0.75 | CES1 (0.41) | CES1CYP1A2CYP3A4ALDH1A1LMNA |
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-2008146064-A1 | NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION | EGIS GYÓGYSZERGYÁR (HU) | 2008-12-04 | — | — | WO | disclosed |