Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007717 | 0.97 | HDAC6 (0.33) | HDAC1HDAC8HDAC6GRIN1GRIN2B | |
| SCHEMBL7999089 | 0.94 | HDAC1 (0.34) | HDAC1HDAC8HDAC6GRIN1GRIN2B | |
| SCHEMBL8007763 | 0.87 | GRIN1 (0.35) | HDAC1HDAC8HDAC6GRIN1GRIN2B | |
| SCHEMBL7998527 | 0.82 | GRIN1 (0.35) | HDAC1HDAC8HDAC6GRIN1GRIN2B | |
| SCHEMBL8007749 | 0.81 | POLB (0.39) | GRIN1GRIN2BKDM4EPOLB | |
| SCHEMBL8010417 | 0.81 | POLB (0.41) | GRIN1GRIN2BTDP1POLB | |
| SCHEMBL8008284 | 0.80 | POLB (0.38) | GRIN1GRIN2BKDM4EPOLB | |
| SCHEMBL8007765 | 0.80 | POLB (0.38) | GRIN1GRIN2BKDM4EPOLB | |
| SCHEMBL7998577 | 0.79 | L3MBTL1 (0.32) | HDAC1HDAC8HDAC6ALDH1A1GAA | |
| SCHEMBL10293080 | 0.79 | CYP1A2 (0.31) | ALDH1A1KDM4EUSP2TSHRXBP1 |
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-2009134987-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |