Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 10/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 10/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6159559 | 1.00 | HCRTR1 (0.50) | HCRTR1HCRTR2MEN1KMT2AFAAH | |
| SCHEMBL6158251 | 0.84 | HCRTR1 (0.50) | HCRTR1HCRTR2MEN1KMT2AFAAH | |
| SCHEMBL6158817 | 0.83 | HCRTR1 (0.47) | HCRTR1HCRTR2MEN1KMT2ACCR5 | |
| SCHEMBL6158812 | 0.83 | HCRTR1 (0.47) | HCRTR1HCRTR2MEN1KMT2ACCR5 | |
| SCHEMBL6158809 | 0.83 | HCRTR1 (0.47) | HCRTR1HCRTR2MEN1KMT2ACCR5 | |
| SCHEMBL6158304 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2MEN1KMT2AFAAH | |
| SCHEMBL6158310 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2MEN1KMT2AFAAH | |
| SCHEMBL6158302 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2MEN1KMT2AFAAH | |
| SCHEMBL6160246 | 0.80 | HCRTR1 (0.44) | HCRTR1HCRTR2FAAHHRH3 | |
| SCHEMBL6158763 | 0.80 | HCRTR1 (0.47) | HCRTR1HCRTR2MEN1KMT2AFAAH |
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-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |