Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215425 | 0.83 | HDAC3 (0.47) | HRH3HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7215423 | 0.83 | HRH3 (0.42) | HRH3S1PR1S1PR3HDAC3HDAC4 | |
| SCHEMBL7210529 | 0.77 | HDAC3 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL10888065 | 0.72 | HDAC6 (0.63) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13809726 | 0.72 | HDAC6 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13809445 | 0.71 | PPARG (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7215431 | 0.70 | MAPT (0.49) | — | |
| SCHEMBL7214896 | 0.69 | BCHE (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL10769451 | 0.68 | PTGES (0.58) | — | |
| SCHEMBL10887379 | 0.68 | HDAC6 (0.70) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1335899-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | Actelion Pharmaceuticals Ltd. (CH) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002038534-A2 | SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2002-05-16 | — | — | WO | disclosed |