Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 7/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.37 |
| ▸ | SDCBP | O00560 | 1/20 | 0.37 |
| ▸ | SDC2 | P34741 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4597275 | 0.92 | MMP13 (0.37) | HDAC2HDAC8HDAC1CA1CA2 | |
| SCHEMBL4597234 | 0.89 | NR1H2 (0.40) | HRH3NR1H2HDAC1SDCBPSDC2 | |
| SCHEMBL4597735 | 0.81 | CA2 (0.36) | NR1H2PTGER4CA1CA2SYK | |
| SCHEMBL4597564 | 0.80 | MMP13 (0.36) | HDAC2HDAC8HDAC1SYKHDAC6 | |
| SCHEMBL4597423 | 0.79 | CTSS (0.50) | HDAC2HDAC8HDAC1HDAC6CTSS | |
| SCHEMBL14021759 | 0.79 | CTSS (0.50) | HDAC2HDAC8HDAC1HDAC6CTSS | |
| SCHEMBL5307198 | 0.78 | SYK (0.41) | HDAC1SYKCTSSCTSK | |
| SCHEMBL1932821 | 0.78 | SYK (0.47) | CA1SYKCTSSCTSK | |
| SCHEMBL4608785 | 0.76 | CTSK (0.40) | HDAC2HDAC8HDAC1HDAC6HDAC3 | |
| SCHEMBL6830538 | 0.74 | NPC1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1907352-A2 | NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS | Bexel Pharmaceuticals Inc (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007005774-A2 | NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS | BEXEL PHARMACEUTICALS, INC. (US) | 2007-01-11 | — | — | WO | disclosed |