Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4706933 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL28534307 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL29749129 | 0.76 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL27554 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL14246539 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| Hydrochloric Acid SCHEMBL727298 | 0.74 | ALDH1A1 (0.97) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL10888543 | 0.74 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL13273200 | 0.74 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL21824684 | 0.73 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT | |
| SCHEMBL13528781 | 0.73 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRMAPK1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112566585-B | Hardenable dental compositions comprising alkaline core material encapsulated in an inorganic shell and dispensing devices therefor | 3M创新有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-112566585-A | Hardenable dental compositions comprising alkaline core material encapsulated in an inorganic shell and dispensing devices therefor | 3M创新有限公司 | 2021-03-26 | — | — | CN | disclosed |