Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23580817 | 1.00 | MTNR1A (0.45) | MTNR1ATRPA1TP53MDM2CYP1A1 | |
| SCHEMBL30279761 | 0.83 | ALDH1A3 (0.44) | MTNR1ATRPA1ALOX5ALDH1A1KDM4E | |
| SCHEMBL23580892 | 0.83 | ALDH1A3 (0.44) | MTNR1ATRPA1ALOX5ALDH1A1KDM4E | |
| SCHEMBL23581049 | 0.80 | TP53 (0.47) | MTNR1ATRPA1TP53MDM2PTGES | |
| SCHEMBL30279727 | 0.80 | TP53 (0.47) | MTNR1ATRPA1TP53MDM2PTGES | |
| SCHEMBL23580897 | 0.79 | MGAM (0.40) | MTNR1ATRPA1TP53MDM2PTGES | |
| SCHEMBL23601795 | 0.79 | GAA (0.41) | MTNR1ATRPA1TP53MDM2PTGES | |
| SCHEMBL1663786 | 0.78 | ALDH1A1 (0.58) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E | |
| SCHEMBL228003 | 0.78 | CYP1A1 (0.64) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E | |
| SCHEMBL13444759 | 0.78 | ESR1 (0.59) | CYP1A1CYP1B1ALOX5ALDH1A1KDM4E |
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-115485259-A | Substituted hydroxystilbene compounds and derivatives, synthesis and use thereof | 凯楠公爵IP有限责任公司 | 2022-12-16 | — | — | CN | disclosed |