Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | PTPRC | P08575 | 3/20 | 0.36 |
| ▸ | S100A4 | P26447 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23580535 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL3586346 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL13630905 | 0.76 | TDP1 (0.53) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL21470479 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL30168212 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4MAPT | |
| SCHEMBL24900737 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL3572666 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4MAPT | |
| SCHEMBL1030342 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL29744802 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4HIF1A | |
| SCHEMBL2815988 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1CYP3A4HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114945571-B | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2025-02-25 | — | — | CN | disclosed |
| CN-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |