Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | MC1R | Q01726 | 1/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7274864 | 0.91 | NAMPT (0.40) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7272799 | 0.90 | HDAC1 (0.41) | HDAC1HDAC8HDAC2HDAC3MC4R | |
| SCHEMBL7284310 | 0.87 | NAMPT (0.41) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7272971 | 0.87 | NAMPT (0.41) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7272690 | 0.87 | NAMPT (0.41) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7272983 | 0.87 | GRB2 (0.37) | HDAC1HDAC8HDAC2HDAC3MC4R | |
| SCHEMBL7272852 | 0.86 | SIGMAR1 (0.40) | HDAC1HDAC8HDAC2HDAC3HDAC6 | |
| SCHEMBL7274469 | 0.86 | LMNA (0.42) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7282847 | 0.84 | HDAC3 (0.41) | HDAC1HDAC8HDAC2HDAC3ITGB3 | |
| SCHEMBL7274533 | 0.83 | TSHR (0.40) | ITGB3ITGA2BCYP1A2F13A1F2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5591769-A | PYRROLIDINE DERIVATIVES; ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |
| US-5541343-A | ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0483667-A2 | Cyclic imino derivatives, process for their preparation and drugs containing them | Dr. Karl Thomae GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |