Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.62 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.62 |
| ▸ | S1PR2 | O95136 | 9/20 | 0.62 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.59 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9119495 | 0.91 | HRH4 (0.53) | HTR2AS1PR1S1PR3S1PR2S1PR4 | |
| SCHEMBL14524279 | 0.89 | HRH4 (0.53) | HTR2AS1PR1S1PR3S1PR2S1PR4 | |
| SCHEMBL19217017 | 0.87 | S1PR1 (0.73) | S1PR1S1PR3S1PR2S1PR4HRH4 | |
| SCHEMBL11934723 | 0.86 | HRH4 (0.61) | HTR2AS1PR1S1PR3S1PR2S1PR4 | |
| SCHEMBL11934799 | 0.84 | HRH4 (0.59) | HTR2AS1PR1S1PR3S1PR2S1PR4 | |
| SCHEMBL9784433 | 0.83 | HRH4 (0.72) | S1PR1S1PR3S1PR2S1PR4HRH4 | |
| Acetic Acid SCHEMBL9008894 | 0.82 | S1PR1 (0.58) | S1PR1S1PR3S1PR2S1PR4HRH4 | |
| SCHEMBL13975764 | 0.82 | HRH4 (0.60) | S1PR1S1PR3S1PR2S1PR4HRH4 | |
| SCHEMBL13093971 | 0.82 | HRH4 (0.66) | S1PR1S1PR3S1PR2S1PR4HRH4 | |
| SCHEMBL6575879 | 0.82 | MC4R (0.53) | HTR2ASMN1; SMN2CYP1A2CYP2C19SIGMAR1 |
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 |