Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999089 | 0.89 | HDAC1 (0.34) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL7998525 | 0.87 | HDAC1 (0.33) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL8007717 | 0.86 | HDAC6 (0.33) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL7998527 | 0.86 | GRIN1 (0.35) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL4191955 | 0.79 | HTR2A (0.39) | TSHRALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL10260657 | 0.77 | CYP1A2 (0.32) | HDAC6PPARGPPARA | |
| SCHEMBL8001035 | 0.77 | L3MBTL1 (0.34) | HDAC1HDAC8HDAC6ALDH1A1KDM4E | |
| SCHEMBL10292814 | 0.77 | CYP1A2 (0.32) | TSHRMAPK1HSD17B10ALDH1A1KDM4E | |
| SCHEMBL8007749 | 0.75 | POLB (0.39) | GRIN1GRIN2BKDM4ENPC1RAB9A | |
| SCHEMBL8010417 | 0.75 | POLB (0.41) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 |
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 |