Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.63 |
| ▸ | DPP4 | P27487 | 5/20 | 0.54 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.48 |
| ▸ | ARG1 | P05089 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14390395 | 0.88 | HDAC8 (0.67) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL5746200 | 0.84 | HDAC8 (0.62) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL5746194 | 0.84 | HDAC8 (0.62) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| Hydrochloric Acid SCHEMBL6165142 | 0.81 | HDAC8 (0.61) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| Hydrochloric Acid SCHEMBL6165132 | 0.81 | HDAC8 (0.61) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| Trifluoroacetic Acid SCHEMBL6824509 | 0.80 | HDAC8 (0.58) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL7363744 | 0.79 | OPRD1 (0.61) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL30429936 | 0.78 | DPP4 (0.60) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL7360569 | 0.78 | HDAC8 (0.55) | HDAC8DPP4SLC7A5OPRD1HRH2 | |
| SCHEMBL4776727 | 0.78 | HDAC8 (1.00) | HDAC8DPP4SLC7A5OPRD1 |
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-1075062-C | Acetic acid derivatives | HOFFMANN LA ROCHE (CH) | 2001-11-21 | — | — | CN | disclosed |
| CN-1209063-A | Vitronection receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 1999-02-24 | — | — | CN | disclosed |
| CN-1209060-A | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 1999-02-24 | — | — | CN | disclosed |
| CN-1112104-A | Acetic acid derivatives | HOFFMANN LA ROCHE (CH) | 1995-11-22 | — | — | CN | disclosed |