Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.62 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.62 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.62 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7062665 | 0.80 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7127110 | 0.80 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5904027 | 0.78 | HDAC3 (1.00) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7224299 | 0.77 | NPC1 (0.45) | RAB9AKDM4ENPC1AKT1MAPT | |
| SCHEMBL23657553 | 0.77 | RAB9A (1.00) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7224429 | 0.77 | MAPK11 (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7224412 | 0.76 | CHRNA7 (0.44) | HDAC4HDAC1HDAC6 | |
| SCHEMBL7232588 | 0.76 | HPGD (0.50) | RAB9AKDM4EALDH1A1NPC1AKT1 | |
| SCHEMBL7063378 | 0.75 | HDAC3 (0.63) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5212030 | 0.74 | HDAC3 (0.75) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |