Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | STAT3 | P40763 | 1/20 | 0.57 |
| ▸ | STAT1 | P42224 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL721041 | 0.84 | SMN1; SMN2 (0.74) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| SCHEMBL55409 | 0.84 | SMN1; SMN2 (0.74) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| 4-Hydroxyacetophenone SCHEMBL27822543 | 0.83 | HSD17B1 (0.63) | SMN1; SMN2MAPTRAB9ATDP1MAPK1 | |
| Bromide SCHEMBL28439252 | 0.82 | SMN1; SMN2 (0.71) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| Propionaldehyde SCHEMBL28269376 | 0.82 | MAOB (0.53) | MAPTRAB9ANPC1MAOBLMNA | |
| Propionaldehyde SCHEMBL28868428 | 0.82 | KMT2A (0.55) | SMN1; SMN2MAPTRAB9ANPC1MAOB | |
| Acetophenone SCHEMBL27469600 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| SCHEMBL28567567 | 0.80 | SMN1; SMN2 (0.68) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| Propene SCHEMBL5210863 | 0.78 | MAPT (0.61) | SMN1; SMN2MAPTRAB9ANPC1TDP1 | |
| SCHEMBL19143299 | 0.78 | ALDH1A1 (0.80) | SMN1; SMN2MAPTRAB9ANPC1TDP1 |
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-110078747-A | A kind of novel thiazole class drug molecule and preparation method thereof for hospital disinfection | 河南科技大学第一附属医院 | 2019-08-02 | — | — | CN | disclosed |