Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1273796 | 0.85 | ALDH1A1 (0.35) | ALDH1A1HTTGAAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL30493329 | 0.84 | ALDH1A1 (0.34) | ALDH1A1HTTGAAMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29148099 | 0.76 | DPP8 (0.38) | ALDH1A1PKMKDM1A | |
| Trifluoroacetic Acid SCHEMBL30727536 | 0.71 | KMT2A (0.51) | ALDH1A1PKMHTTGAAKDM4E | |
| Naphthalene SCHEMBL29443947 | 0.70 | CES1 (0.54) | ALDH1A1CES1KDM1APAX8 | |
| Anthracene SCHEMBL1558998 | 0.66 | CES1 (0.50) | ALDH1A1CES1KDM1AGAAKDM4E | |
| Trifluoroacetic Acid SCHEMBL30574632 | 0.66 | — | — | |
| Naphthalene SCHEMBL28279265 | 0.65 | CES1 (0.48) | ALDH1A1CES1KDM1AKDM4EKMT2A | |
| Phenanthrene SCHEMBL1839925 | 0.63 | HSD17B10 (0.55) | ALDH1A1CES1HTTGAAKDM4E | |
| SCHEMBL31292622 | 0.62 | POLB (0.43) | ALDH1A1HTTKMT2APOLB |
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-117229286-A | Aromatic compound, preparation method thereof and application thereof in preparation of estrogen receptor degradation agent | 海创药业股份有限公司 | 2023-12-15 | — | — | CN | disclosed |