Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2339443 | 0.78 | SMN1; SMN2 (0.59) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL2211208 | 0.78 | SMN1; SMN2 (0.37) | NPC1RAB9ASMN1; SMN2KDM4A | |
| SCHEMBL21471362 | 0.77 | KDM4A (0.47) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL14007393 | 0.77 | NPC1 (0.52) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL13936045 | 0.76 | SMN1; SMN2 (0.56) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL13936046 | 0.76 | SMN1; SMN2 (0.56) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL10401729 | 0.74 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2KDM4A | |
| SCHEMBL11333361 | 0.74 | NR1H3 (0.63) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL10361051 | 0.74 | KDM4A (0.41) | SMN1; SMN2KDM4A | |
| SCHEMBL13921714 | 0.74 | NR1H3 (0.58) | NPC1RAB9ANR1H2NR1H3SMN1; SMN2 |
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-2850068-B1 | N-(phenyl)-2-[[3-(phenyl)-1H-1,2,4-triazol-5-yl]thio]-acetamide derivatives and related compounds as G protein coupled receptor 17 (GPCR17) modulators for use in the treatment of neuro-degenerative diseases | UNIV DEGLI STUDI MILANO (IT) | 2019-05-29 | — | — | EP | disclosed |