Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 2/20 | 0.41 |
| ▸ | 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 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4753125 | 0.76 | CA9 (0.40) | CA12CA1CA2CA4CA7 | |
| SCHEMBL4750499 | 0.68 | CES1 (0.44) | CES1DAONSD2BCHEAHR | |
| SCHEMBL20723 | 0.66 | MAPT (0.44) | AHRMAPTLMNAPDGFRALTK | |
| SCHEMBL20505096 | 0.66 | MAPT (0.44) | AHRMAPTLMNAPDGFRALTK | |
| SCHEMBL25112387 | 0.64 | CES1 (0.77) | CES1DAONSD2BCHEAHR | |
| SCHEMBL6219325 | 0.63 | CES1 (0.41) | CES1MAPTPDE7ALMNACYP1A2 | |
| SCHEMBL3255010 | 0.63 | HTR5A (0.35) | CES1DAONSD2BCHEAHR | |
| SCHEMBL21296775 | 0.63 | GSK3B (0.52) | CES1BCHECA12CA1CA2 | |
| SCHEMBL555451 | 0.63 | GSK3B (0.52) | CES1BCHECA12CA1CA2 | |
| SCHEMBL1346523 | 0.62 | AHR (0.49) | CES1DAONSD2BCHEAHR |
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 |