Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1923143 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| SCHEMBL109110 | 0.75 | — | — | |
| SCHEMBL31509462 | 0.73 | — | — | |
| SCHEMBL108766 | 0.73 | — | — | |
| SCHEMBL28433172 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| SCHEMBL25083774 | 0.71 | — | — | |
| SCHEMBL10656536 | 0.71 | — | — | |
| SCHEMBL13806559 | 0.71 | — | — | |
| SCHEMBL19883375 | 0.71 | — | — | |
| SCHEMBL25405644 | 0.71 | — | — |
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-218596506-U | Vaporizer vessel for vaporizable solid source material | 恩特格里斯公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-114959643-A | Solid vaporizer | 恩特格里斯公司 | 2022-08-30 | — | — | CN | disclosed |