Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29388293 | 0.90 | ESR1 (0.42) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL6075249 | 0.90 | ESR1 (0.42) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL8999593 | 0.88 | TYR (0.41) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL8019398 | 0.82 | LMNA (0.42) | TP53LMNAMAPTKDM4EALDH1A1 | |
| SCHEMBL27839570 | 0.81 | ESR1 (0.58) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL27820086 | 0.81 | ESR1 (0.58) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL20239385 | 0.81 | ESR1 (0.58) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL27820038 | 0.81 | ESR1 (0.58) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL7164995 | 0.81 | MAPT (0.44) | ESR1ESR2TP53LMNAADRA2A | |
| SCHEMBL1312718 | 0.81 | MAPT (0.44) | ESR1ESR2TP53LMNAADRA2A |
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-115354350-A | Method for electrocatalytic in-situ nitration of halogenated aromatic hydrocarbon | 平顶山学院 | 2022-11-18 | — | — | CN | disclosed |