Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514198 | 0.81 | TDP1 (0.38) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL86328 | 0.81 | TDP1 (0.38) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL28100539 | 0.81 | CTSK (0.42) | — | |
| SCHEMBL12734615 | 0.81 | CTSK (0.42) | — | |
| SCHEMBL12734604 | 0.81 | CTSK (0.42) | — | |
| SCHEMBL17933614 | 0.78 | CHRNB2 (0.34) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL23773855 | 0.77 | CHRNB2 (0.37) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL618047 | 0.77 | CHRNB2 (0.37) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL24881082 | 0.77 | CA1 (0.38) | AAK1CHRNB2CHRNB4CHRNA4CHRNA3 | |
| SCHEMBL31716325 | 0.76 | ALDH1A1 (0.35) | AAK1CHRNB2CHRNB4CHRNA4HDAC1 |
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-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |