Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL229792 | 0.83 | TSHR (0.50) | CYP2D6LMNATSHRGAA | |
| SCHEMBL241533 | 0.83 | DGAT1 (0.46) | CYP2D6CA2CA1CA7TSHR | |
| SCHEMBL12560963 | 0.83 | LMNA (0.48) | CYP2D6LMNACA2CA1CA7 | |
| SCHEMBL28949349 | 0.82 | LMNA (0.40) | CYP2D6LMNATSHRCTSKGAA | |
| SCHEMBL15445467 | 0.82 | CYP2D6 (0.42) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL28875912 | 0.81 | LMNA (0.48) | CYP2D6LMNATSHRGAA | |
| SCHEMBL28727541 | 0.81 | LMNA (0.48) | CYP2D6LMNATSHRGAA | |
| SCHEMBL18152012 | 0.81 | LMNA (0.48) | CYP2D6LMNATSHRGAA | |
| SCHEMBL28315849 | 0.81 | LMNA (0.48) | CYP2D6LMNATSHRGAA | |
| Methyl Alcohol SCHEMBL27995686 | 0.81 | DGAT1 (0.44) | CYP2D6CA2CA1CA7TSHR |
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-5621063-A | BLOCKING WITH MALONIC ESTER; DEBLOCKING AT LOW TEMPERATURE | HUELS AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | claimed |
| US-5621063-A | BLOCKING WITH MALONIC ESTER; DEBLOCKING AT LOW TEMPERATURE | HUELS AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |