Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 13/20 | 0.45 |
| ▸ | RAB9A | P51151 | 12/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL7134471 | 0.80 | DAO (0.43) | MRGPRX4NPC1RAB9A | |
| SCHEMBL6828913 | 0.79 | MAOB (0.49) | MRGPRX4NPC1RAB9A | |
| SCHEMBL6826144 | 0.78 | MRGPRX4 (0.78) | MRGPRX4NPC1RAB9APPARD | |
| SCHEMBL6828765 | 0.73 | ALDH1A1 (0.50) | NPC1RAB9A | |
| SCHEMBL5430067 | 0.72 | ACACB (0.46) | NPC1RAB9AS1PR4 | |
| SCHEMBL17050818 | 0.71 | MRGPRX4 (0.60) | MRGPRX4NPC1RAB9A | |
| SCHEMBL19287069 | 0.71 | S1PR4 (0.51) | MRGPRX4NPC1RAB9AS1PR4 | |
| SCHEMBL9900205 | 0.70 | ADRA1D (0.43) | — | |
| SCHEMBL6923233 | 0.70 | ADRA1D (0.45) | NPC1RAB9A | |
| SCHEMBL17051882 | 0.69 | NPC1 (0.60) | MRGPRX4NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |