Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20683224 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| SCHEMBL20710887 | 0.91 | LOXL2 (0.43) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| SCHEMBL29714773 | 0.85 | KMT2A (0.51) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| SCHEMBL497038 | 0.85 | KMT2A (0.51) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Hydrochloric Acid SCHEMBL14993313 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Hydrochloric Acid SCHEMBL466304 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Water SCHEMBL28455416 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Iodide SCHEMBL17782949 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Hydrochloric Acid SCHEMBL29441801 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB | |
| Hydrochloric Acid SCHEMBL27843487 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2HPGDHSD17B10THRB |
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-121378033-A | [2] Rotaxane orientation isomer compound and synthesis method and application thereof | 华东师范大学 | 2026-01-23 | — | — | CN | disclosed |