Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL10806048 | 1.00 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Acetone SCHEMBL8877074 | 1.00 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Acetone SCHEMBL2230779 | 1.00 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Tetrahydrofuran SCHEMBL165529 | 0.97 | — | — | |
| Dioxane SCHEMBL10806051 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Tetrahydrofuran SCHEMBL6927933 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Tetrahydrofuran SCHEMBL11690381 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Acetic Acid SCHEMBL29037898 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Tetrahydrofuran SCHEMBL18917647 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 | |
| Acetic Acid SCHEMBL2354574 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAMEN1TP53 |
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-107353944-B | A kind of high density cage modle heat absorbing type liquid carbon hydrogen fuel and preparation method thereof | 湖北航天化学技术研究所 | 2019-03-12 | — | — | CN | claimed |
| CN-107353944-A | A kind of high density cage modle heat absorbing type liquid carbon hydrogen fuel and preparation method thereof | 湖北航天化学技术研究所 | 2017-11-17 | — | — | CN | claimed |