Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.50 |
| ▸ | PYGL | P06737 | 16/20 | 0.49 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.45 |
| ▸ | F3 | P13726 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL742753 | 0.93 | SMYD3 (0.45) | SMYD3PYGLCYP51A1HRH4HRH3 | |
| SCHEMBL739788 | 0.82 | SMYD3 (0.51) | SMYD3PYGLCYP51A1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL741745 | 0.81 | SMYD3 (0.50) | SMYD3PYGLCYP51A1HRH4HRH3 | |
| SCHEMBL1859288 | 0.76 | F10 (0.68) | — | |
| SCHEMBL743067 | 0.76 | F10 (0.68) | — | |
| SCHEMBL740522 | 0.71 | SMYD3 (0.48) | SMYD3PYGLHRH4HRH3F7 | |
| Hydrochloric Acid SCHEMBL741885 | 0.71 | CNR1 (0.47) | SMYD3PYGLCYP51A1 | |
| SCHEMBL4088794 | 0.70 | PYGL (0.54) | SMYD3PYGLHRH4HRH3F7 | |
| SCHEMBL4088790 | 0.70 | PYGL (0.54) | SMYD3PYGLHRH4HRH3F7 | |
| SCHEMBL11888204 | 0.70 | PYGL (0.54) | SMYD3PYGLHRH4HRH3F7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2431370-B1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI SANKYO CO LTD (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-2431370-A1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-7935824-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |