Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL17530209 | 0.91 | CCR1 (0.47) | NPC1CHRM4CCR1POLBNAMPT | |
| SCHEMBL17530392 | 0.84 | CTSL (0.53) | NPC1CHRM4POLB | |
| SCHEMBL17530364 | 0.80 | CTSB (0.64) | — | |
| SCHEMBL17530360 | 0.78 | ROCK2 (0.46) | GAA | |
| SCHEMBL17529990 | 0.77 | CTSL (0.60) | CHRM4CCR1 | |
| SCHEMBL10122318 | 0.74 | NPC1 (0.52) | NPC1HSD11B1KCNH2HRH3CHRM4 | |
| SCHEMBL10123588 | 0.72 | NPC1 (0.50) | NPC1HSD11B1KCNH2HRH3CHRM4 | |
| SCHEMBL18560441 | 0.71 | PSMB11 (0.47) | NPC1CHRM4GAACCR1POLB | |
| SCHEMBL12320990 | 0.70 | MMP3 (0.50) | NPC1HSD11B1GAACCR1POLB | |
| SCHEMBL12321693 | 0.70 | MMP3 (0.50) | NPC1HSD11B1GAACCR1POLB |
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-2016027284-A2 | PIPERIDINE UREAS AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS | ALKEM LABORATORIES LTD. (IN) | 2016-02-25 | — | — | WO | disclosed |