Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200898 | 0.92 | HDAC1 (0.40) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14229430 | 0.85 | HDAC6 (0.54) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200916 | 0.83 | GRIN2D (0.48) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200848 | 0.83 | TSHR (0.50) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200903 | 0.83 | RIPK1 (0.49) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200828 | 0.81 | HDAC3 (0.45) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200343 | 0.81 | CNR2 (0.54) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200894 | 0.80 | NPC1 (0.36) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL23992462 | 0.79 | HDAC6 (0.51) | HDAC6HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL14200776 | 0.79 | NPC1 (0.35) | HDAC6HDAC1NPC1HPGDRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |