Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.61 |
| ▸ | CTSS | P25774 | 10/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 6/20 | 0.44 |
| ▸ | PPARG | P37231 | 5/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2399357 | 1.00 | CTSK (0.61) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL1429799 | 1.00 | CTSK (0.61) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL7788744 | 0.87 | CTSK (0.55) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL7788178 | 0.87 | CTSK (0.55) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL28613325 | 0.86 | CTSS (0.48) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL28613327 | 0.86 | CTSS (0.48) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL8139777 | 0.84 | CTSK (0.58) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL17533115 | 0.83 | CTSS (0.46) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL4657580 | 0.83 | CTSK (0.57) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL29651451 | 0.83 | CTSS (0.64) | CTSKCTSSCTSLCTSBPPARA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778162-A | Preparation method of chiral beta- (Boc-amino) -5-hexynoic acid | 上海海皋科技有限公司 | 2021-05-11 | — | — | CN | claimed |
| CN-112778162-B | Preparation method of chiral beta- (Boc-amino) -5-hexynoic acid | 上海海皋科技有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-112778162-A | Preparation method of chiral beta- (Boc-amino) -5-hexynoic acid | 上海海皋科技有限公司 | 2021-05-11 | — | — | CN | disclosed |
| EP-2300452-A1 | 5-Ý5-Ý2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOYLMETHYLAMINO¨-4-(4-FLUORO-2-METHYLPHENYL)¨-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS | Glaxo Wellcome Manufacturing Pte Ltd (SG) | 2011-03-30 | — | — | EP | disclosed |