Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28058320 | 0.89 | ALDH1A1 (0.32) | SMN1; SMN2RAB9AHSD17B10ALDH1A1KMT2A | |
| SCHEMBL10306297 | 0.84 | SMN1; SMN2 (0.38) | SMN1; SMN2RAB9AHSD17B10PDK1ALDH1A1 | |
| SCHEMBL14764021 | 0.81 | ALDH1A1 (0.36) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL31314695 | 0.77 | CES2 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL31198796 | 0.75 | SLC6A2 (0.38) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL11690112 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL9447726 | 0.72 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1TDP1EPHX1 | |
| Hexane SCHEMBL9219008 | 0.72 | EPHX1 (0.39) | SMN1; SMN2RAB9AHSD17B10ALDH1A1TDP1 | |
| SCHEMBL503988 | 0.71 | ALDH1A1 (0.33) | SMN1; SMN2PDK1ALDH1A1TDP1EPHX1 | |
| SCHEMBL4920076 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461666-A | Preparation method of 2-substituted tetrahydrofuran compounds | UNIV EAST CHINA NORMAL | 2016-04-06 | — | — | CN | disclosed |