Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL6681646 | 0.89 | GABRA1 (0.41) | SLC6A9PTGDR2CA2CA9ENPP3 | |
| SCHEMBL28816427 | 0.89 | LOXL2 (0.45) | PDPK1PTGDR2CA2CA9ENPP3 | |
| SCHEMBL6624144 | 0.85 | PTPRC (0.43) | CA2CA9ENPP3CA12CA1 | |
| SCHEMBL20899928 | 0.84 | SLC6A11 (0.42) | PDPK1PTGDR2CA2CA9ENPP3 | |
| SCHEMBL20899966 | 0.83 | CA2 (0.43) | CA2CA9ENPP3CA12CA1 | |
| SCHEMBL29608350 | 0.81 | ADORA2A (0.47) | PDPK1CA2CA9ENPP3CA12 | |
| SCHEMBL1093747 | 0.81 | ADORA2A (0.47) | PDPK1CA2CA9ENPP3CA12 | |
| SCHEMBL5692973 | 0.81 | SCN9A (0.46) | PDPK1CA2CA9SCN9ACA1 | |
| SCHEMBL3838065 | 0.80 | ALDH1A1 (0.39) | PDPK1CA2CA9ENPP3CA12 | |
| SCHEMBL30130504 | 0.80 | ALDH1A1 (0.39) | PDPK1CA2CA9ENPP3CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004112783-A1 | NEW USE IV | BIOVITRUM AB (SE) | 2004-12-29 | — | — | WO | claimed |
| EP-1461325-A1 | INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 | BIOVITRUM AB (SE) | 2004-09-29 | — | — | EP | claimed |
| WO-2003043999-A1 | INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 | BIOVITRUM AB (SE) | 2003-05-30 | — | — | WO | claimed |
| WO-2019075394-A1 | COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME | VANDERKLISH PETER (US) | 2019-04-18 | — | — | WO | disclosed |