Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2616897 | 0.85 | CYP1A2 (0.53) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL28257472 | 0.85 | HTT (0.58) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL6589180 | 0.84 | HTT (0.63) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL5490141 | 0.83 | TP53 (0.56) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL11622455 | 0.80 | ALDH1A1 (0.55) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL28280017 | 0.78 | CSNK2A1 (0.47) | ALDH1A1TDP1KMT2AMEN1L3MBTL1 | |
| SCHEMBL8483121 | 0.77 | ALDH1A1 (0.56) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL5916635 | 0.77 | KMT2A (0.57) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL1122546 | 0.76 | CYP1A2 (0.69) | HTTTP53ALDH1A1MAPTTDP1 | |
| SCHEMBL11648063 | 0.76 | ALDH1A1 (0.58) | HTTTP53ALDH1A1MAPTTDP1 |
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-107382700-B | Conjugated addition method of aromatic carboxylic acid and alpha, beta-unsaturated ketone | 陕西师范大学 | 2020-08-25 | — | — | CN | disclosed |
| CN-107382700-A | A kind of method of aromatic carboxylic acids and alpha, beta unsaturated ketone conjugate addition | 陕西师范大学 | 2017-11-24 | — | — | CN | disclosed |