Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10646920 | 1.00 | NPC1 (0.52) | NPC1RAB9AL3MBTL1P2RX4PTGDR2 | |
| SCHEMBL27607258 | 0.90 | NPC1 (0.50) | NPC1RAB9AL3MBTL1P2RX4PTGDR2 | |
| SCHEMBL27589256 | 0.87 | NPC1 (0.52) | NPC1RAB9AL3MBTL1P2RX4PTGDR2 | |
| SCHEMBL1000224 | 0.82 | NPC1 (0.54) | NPC1RAB9AL3MBTL1ACE | |
| SCHEMBL3208272 | 0.82 | NPC1 (0.54) | NPC1RAB9AL3MBTL1ACE | |
| SCHEMBL24582713 | 0.82 | NPC1 (0.54) | NPC1RAB9AL3MBTL1ACE | |
| SCHEMBL27575924 | 0.82 | NOTUM (0.58) | NPC1RAB9AL3MBTL1PTGDR2SMN1; SMN2 | |
| SCHEMBL8272822 | 0.81 | NPC1 (0.51) | NPC1RAB9AL3MBTL1P2RX4PTGDR2 | |
| SCHEMBL10879562 | 0.81 | ACE (0.48) | ACE | |
| SCHEMBL9964899 | 0.81 | NPC1 (0.53) | NPC1RAB9AL3MBTL1P2RX4PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0950046-B1 | 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS | NAEJA PHARMACEUTICAL INC (CA) | 2002-04-10 | — | — | EP | claimed |