Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 4/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.36 |
| ▸ | PSMB2 | P49721 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18912343 | 0.89 | NPC1 (0.56) | NPC1CYP1A2HRH3LTA4HPSMB1 | |
| SCHEMBL25571582 | 0.88 | NPC1 (0.64) | NPC1HRH3LTA4H | |
| SCHEMBL13939521 | 0.86 | NPC1 (0.88) | NPC1CYP1A2HRH3LTA4HPSMB1 | |
| SCHEMBL16016535 | 0.86 | NPC1 (0.88) | NPC1CYP1A2HRH3LTA4HPSMB1 | |
| SCHEMBL25565671 | 0.83 | NPC1 (0.53) | NPC1CYP1A2HRH3 | |
| SCHEMBL25621681 | 0.83 | NPC1 (0.53) | NPC1HRH3 | |
| SCHEMBL18713115 | 0.82 | NPC1 (0.67) | NPC1HRH3LTA4HMCHR1 | |
| SCHEMBL13086520 | 0.81 | NPC1 (0.52) | NPC1CYP1A2HRH3MCHR1SMN1; SMN2 | |
| SCHEMBL12449678 | 0.81 | KDM4E (0.49) | NPC1HRH3 | |
| SCHEMBL12829 | 0.81 | KDM4E (0.49) | NPC1HRH3 |
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-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |