Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311469 | 0.74 | NOS3 (0.56) | DHFRNOS3NOS1NOS2KDM4E | |
| SCHEMBL21712533 | 0.72 | NOS3 (0.34) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL21139550 | 0.69 | NOS3 (0.32) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL21646346 | 0.68 | IRAK4 (0.33) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL20458856 | 0.68 | PIK3CA (0.39) | AURKAKDRAURKB | |
| Hydrochloric Acid SCHEMBL30518652 | 0.67 | PIK3CA (0.38) | AURKAKDRAURKB | |
| SCHEMBL26739699 | 0.67 | TGFBR1 (0.37) | DHFRALDH1A1AURKAAURKB | |
| SCHEMBL24140061 | 0.65 | MAPT (0.50) | DHFRKDM4EALDH1A1AURKAKDR | |
| SCHEMBL3936252 | 0.65 | PGK1 (0.43) | KDM4EALDH1A1AURKA | |
| SCHEMBL13715975 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2935243-B1 | PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF | EPIZYME INC (US) | 2018-03-14 | — | — | EP | disclosed |