Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | BCR | P11274 | 2/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31014165 | 0.89 | ESR1 (0.43) | CYP1A1CYP1B1CYP1A2ESR1 | |
| SCHEMBL31014158 | 0.89 | ESR1 (0.42) | CYP1A1CYP1B1CYP1A2ESR1PTGS1 | |
| SCHEMBL31014156 | 0.87 | ESR1 (0.41) | CYP1A1CYP1B1CYP1A2ESR1KDM4E | |
| Iodide SCHEMBL31014149 | 0.85 | ESR1 (0.40) | CYP1A1CYP1B1CYP1A2ESR1KDM4E | |
| SCHEMBL19204565 | 0.80 | ESR1 (0.56) | CYP1A2ESR1KDM4ETTRMAPT | |
| SCHEMBL19204574 | 0.80 | ESR1 (0.48) | ESR1 | |
| SCHEMBL14514173 | 0.79 | CNR2 (0.47) | ESR1KDM4ELMNAMAPTALDH1A1 | |
| SCHEMBL31014154 | 0.78 | NPC1 (0.40) | ESR1PTGS2PTGS1KDM4ELMNA | |
| SCHEMBL7598473 | 0.78 | KDM4E (0.46) | CYP1A2ESR1KDM4EALDH1A1 | |
| SCHEMBL7524110 | 0.76 | RECQL (0.43) | ESR1TUBB1TUBB4ATUBBTUBA3C |
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-118439934-A | Adamantane compound containing conjugated vinyl and preparation and application thereof | 浙江大学 | 2024-08-06 | — | — | CN | disclosed |