Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7225045 | 0.87 | SLC6A3 (0.41) | ADRB1ADRB3SLC6A3SLC6A4 | |
| SCHEMBL7225066 | 0.86 | SLC6A4 (0.41) | CCNCCDK8ADRB1ADRB3CHRNB2 | |
| SCHEMBL7225892 | 0.85 | CHRNB2 (0.39) | CHRNB2CHRNA4 | |
| SCHEMBL7225557 | 0.85 | SLC8A1 (0.37) | CHRNB2CHRNA4 | |
| SCHEMBL7231264 | 0.84 | CYP1A2 (0.32) | SLC6A3SLC6A4F10 | |
| SCHEMBL7223948 | 0.83 | TAS1R3 (0.36) | CHRNB2CHRNA4SLC6A3SLC6A4 | |
| SCHEMBL7124913 | 0.82 | MMP2 (0.39) | PTGER4SMYD3 | |
| SCHEMBL7223860 | 0.82 | SLC6A4 (0.36) | CCNCCDK8CHRNB2CHRNA4SLC6A3 | |
| SCHEMBL7225381 | 0.82 | HTR3E (0.37) | SLC6A3SLC6A4 | |
| SCHEMBL7234416 | 0.82 | F10 (0.37) | SLC6A3SLC6A4F10 |
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 |