Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29121426 | 1.00 | ATM (0.46) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| SCHEMBL29121439 | 0.86 | ALDH1A1 (0.55) | ATMALDH1A1CYP2D6NPSR1HPGD | |
| SCHEMBL29809256 | 0.86 | ALDH1A1 (0.55) | ATMALDH1A1CYP2D6NPSR1HPGD | |
| SCHEMBL28802689 | 0.85 | MAPT (0.44) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| SCHEMBL30779217 | 0.85 | MAPT (0.44) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| Hydrochloric Acid SCHEMBL8122175 | 0.85 | MAPT (0.42) | ALDH1A1NPSR1MAPTKMT2AHPGD | |
| SCHEMBL30547170 | 0.80 | ATM (0.51) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| SCHEMBL29090412 | 0.80 | ATM (0.51) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| SCHEMBL28775287 | 0.79 | NPSR1 (0.56) | ATMALDH1A1CYP2D6NPSR1MAPT | |
| SCHEMBL29090456 | 0.76 | MAPT (0.45) | ATMALDH1A1CYP2D6NPSR1MAPT |
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-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |