Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL30919973 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL6809657 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL27934470 | 0.86 | ALDH1A1 (0.86) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL27591826 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL20540736 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL9577010 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL27483284 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL8464588 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL28219232 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 | |
| Acetic Acid Butyl Ester SCHEMBL302627 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1L3MBTL1MAPK1 |
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-105724147-A | New method for culturing pachira macrocarpa | 李元刚 | 2016-07-06 | — | — | CN | claimed |
| CN-105724147-A | New method for culturing pachira macrocarpa | 李元刚 | 2016-07-06 | — | — | CN | disclosed |