Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | MMP13 | P45452 | 2/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28410589 | 1.00 | ALDH1A1 (0.54) | ALDH1A1MAPTMMP13MMP1CYP1A2 | |
| SCHEMBL12237259 | 1.00 | ALDH1A1 (0.54) | ALDH1A1MAPTMMP13MMP1CYP1A2 | |
| SCHEMBL12259812 | 0.94 | MMP13 (0.58) | MMP13MMP1KMT2AGAAHTT | |
| SCHEMBL12259813 | 0.87 | GAA (0.52) | ALDH1A1MMP13MMP1KMT2AGAA | |
| SCHEMBL12237262 | 0.87 | MMP13 (0.51) | ALDH1A1MAPTMMP13MMP1KMT2A | |
| SCHEMBL28397210 | 0.87 | HSD11B1 (0.61) | ALDH1A1MAPTMMP13MMP1GAA | |
| SCHEMBL28397208 | 0.87 | HSD11B1 (0.61) | ALDH1A1MAPTMMP13MMP1GAA | |
| SCHEMBL28748804 | 0.87 | HSD11B1 (0.61) | ALDH1A1MAPTMMP13MMP1GAA | |
| SCHEMBL12237256 | 0.83 | KMT2A (0.49) | ALDH1A1MAPTMMP13MMP1CYP1A2 | |
| SCHEMBL12237255 | 0.82 | KMT2A (0.51) | ALDH1A1MAPTCYP3A4CYP2C9CYP2C19 |
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-108947877-B | Chiral β -hydroxy sulfone and preparation method thereof | 三峡大学 | 2020-04-24 | — | — | CN | disclosed |