Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 5/20 | 0.50 |
| ▸ | MMP2 | P08253 | 5/20 | 0.50 |
| ▸ | MMP3 | P08254 | 5/20 | 0.50 |
| ▸ | PDE4A | P27815 | 5/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.50 |
| ▸ | MMP13 | P45452 | 4/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9772356 | 0.85 | CA12 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL19056810 | 0.84 | NPC1 (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL9626823 | 0.83 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL7352846 | 0.82 | MMP13 (0.60) | MMP1MMP2MMP3PDE4APDE4B | |
| SCHEMBL9772300 | 0.81 | FLT1 (0.50) | RAB9AALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL10709306 | 0.81 | CES2 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL19295893 | 0.79 | ALDH1A1 (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL29589535 | 0.77 | CES2 (0.67) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL28763717 | 0.76 | RAB9A (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL4197237 | 0.75 | CES2 (0.69) | NPC1RAB9AALDH1A1MAPTCES2 |
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-112479945-A | Method for synthesizing beta-ketosulfone by one-pot method | 山东第一医科大学(山东省医学科学院) | 2021-03-12 | — | — | CN | disclosed |