Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14092284 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL24835914 | 0.94 | CYP2C19 (0.49) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL25597428 | 0.93 | CYP3A4 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL7495571 | 0.93 | CYP3A4 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL23867554 | 0.92 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8874259 | 0.92 | CYP3A4 (0.57) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL27255245 | 0.89 | KMT2A (0.50) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL25186698 | 0.88 | CYP3A4 (0.47) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL24974571 | 0.87 | HRH3 (0.49) | ALDH1A1CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL25264559 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A |
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-105884607-A | Preparation method of cyclopropylpropionic acid | 上海合全药业股份有限公司 | 2016-08-24 | — | — | CN | disclosed |