Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28534306 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL4706933 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL29749129 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL13273200 | 0.74 | ALDH1A1 (0.59) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL20335165 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL80420 | 0.72 | SMN1; SMN2 (0.53) | ALDH1A1TSHRSMN1; SMN2MAPK1GAA | |
| SCHEMBL20723880 | 0.72 | SMN1; SMN2 (0.53) | ALDH1A1TSHRSMN1; SMN2MAPK1GAA | |
| SCHEMBL7589310 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| SCHEMBL27202077 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT | |
| Formic Acid SCHEMBL28563317 | 0.71 | ALDH1A1 (0.89) | ALDH1A1TSHRSMN1; SMN2MAPK1HTT |
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 |