Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CTSB | P07858 | 1/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.55 |
| ▸ | ACE | P12821 | 4/20 | 0.54 |
| ▸ | MME | P08473 | 5/20 | 0.53 |
| ▸ | REN | P00797 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ECE1 | P42892 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21261673 | 1.00 | CTSS (0.57) | CTSSCTSLCTSBPSMB5ACE | |
| SCHEMBL28549277 | 0.88 | REN (0.59) | CTSSCTSLCTSBPSMB5ACE | |
| SCHEMBL28549280 | 0.88 | REN (0.59) | CTSSCTSLCTSBPSMB5ACE | |
| SCHEMBL21246823 | 0.83 | ACE (0.68) | PSMB5ACEMMEECE1 | |
| SCHEMBL21246822 | 0.83 | ACE (0.68) | PSMB5ACEMMEECE1 | |
| SCHEMBL30051602 | 0.82 | CTSS (0.54) | CTSSCTSLCTSBACEMME | |
| SCHEMBL7587101 | 0.82 | CTSS (0.54) | CTSSCTSLCTSBACEMME | |
| SCHEMBL1848846 | 0.82 | CTSS (0.54) | CTSSCTSLCTSBACEMME | |
| SCHEMBL10777707 | 0.82 | CTSS (0.54) | CTSSCTSLCTSBACEMME | |
| SCHEMBL7319982 | 0.82 | CTSS (0.54) | CTSSCTSLCTSBACEMME |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017555-B | Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof | 郑州海斯威生物技术有限公司 | 2021-03-26 | — | — | CN | disclosed |