Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28428261 | 0.91 | HRH3 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28426108 | 0.90 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28428242 | 0.89 | HRH3 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28432697 | 0.87 | HRH3 (0.60) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28432768 | 0.87 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28435949 | 0.86 | HRH3 (0.62) | NPC1RAB9ASMN1; SMN2LMNAHTT | |
| SCHEMBL28428239 | 0.85 | RAB9A (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28425585 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28436694 | 0.84 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28896081 | 0.82 | RAB9A (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111320617-A | Phenyl oxadiazole derivative and preparation method and application thereof | 华中科技大学 | 2020-06-23 | — | — | CN | disclosed |