Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7231176 | 0.90 | CA12 (0.39) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7231308 | 0.89 | FAAH (0.45) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7233865 | 0.88 | HDAC1 (0.49) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7232700 | 0.88 | FAAH (0.46) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7234886 | 0.88 | FAAH (0.46) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7225821 | 0.88 | HDAC1 (0.50) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7231985 | 0.88 | HDAC1 (0.46) | HDAC1HDAC6NPC1RAB9ACA12 | |
| SCHEMBL7073214 | 0.88 | TUBB4A (0.47) | HDAC1HDAC6CHRNB2CHRNA4CA12 | |
| SCHEMBL7230828 | 0.87 | SLC6A3 (0.41) | HDAC1HDAC6CHRNB2CHRNA4NPC1 | |
| Hydrochloric Acid SCHEMBL7072564 | 0.87 | TUBB4A (0.46) | HDAC1HDAC6CA12CA1CA2 |
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 |