Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345932 | 0.90 | KDM4E (0.51) | HSD17B2ALDH1A1LMNASMN1; SMN2ESR1 | |
| SCHEMBL28343131 | 0.84 | HSD17B2 (0.49) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL8992939 | 0.83 | HSD17B2 (0.66) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL15322138 | 0.83 | HSD17B2 (0.54) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL27962389 | 0.81 | HSD17B2 (0.49) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL498854 | 0.80 | ALDH1A1 (0.53) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL15322694 | 0.79 | CA12 (0.53) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL16528001 | 0.78 | HSD17B2 (0.49) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL11249719 | 0.78 | CA12 (0.56) | HSD17B2CA12CA1CA2CA7 | |
| SCHEMBL1888095 | 0.77 | ELANE (0.58) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110684162-A | 4D printing resin and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-01-14 | — | — | CN | claimed |
| CN-110684162-B | 4D printing resin and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-10-02 | — | — | CN | disclosed |
| CN-110684162-A | 4D printing resin and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-01-14 | — | — | CN | disclosed |