Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 2/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29121439 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL29121426 | 0.86 | ATM (0.46) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL29809123 | 0.86 | ATM (0.46) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL842038 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL30779218 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP2D6ATMLMNAHPGD | |
| SCHEMBL28802664 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CYP2D6ATMLMNAHPGD | |
| Hydrochloric Acid SCHEMBL8121167 | 0.80 | DHFR (0.38) | ALDH1A1CYP2D6MPODHFRHTR2A | |
| SCHEMBL31577431 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL843722 | 0.76 | TLR7 (0.43) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28872975 | 0.75 | LTA4H (0.57) | ALDH1A1CYP2D6ATMNPSR1LMNA |
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 |