Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.63 |
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860120 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HTTPOLBKMT2AMAPT | |
| Hydrochloric Acid SCHEMBL21296582 | 0.98 | ALDH1A1 (0.65) | ALDH1A1HTTPOLBKMT2AMAPT | |
| SCHEMBL2008813 | 0.90 | ALDH1A1 (0.70) | ALDH1A1HTTPOLBKMT2AMAPT | |
| SCHEMBL5796044 | 0.88 | GRM4 (0.57) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL3404609 | 0.88 | CYP3A4 (0.69) | ALDH1A1HTTPOLBKMT2AMAPT | |
| SCHEMBL20679550 | 0.87 | SMN1; SMN2 (0.66) | ALDH1A1KMT2AMAPTMEN1LMNA | |
| SCHEMBL29663501 | 0.87 | SMN1; SMN2 (0.66) | ALDH1A1KMT2AMAPTMEN1LMNA | |
| SCHEMBL24498947 | 0.86 | ALDH1A1 (0.65) | ALDH1A1HTTPOLBKMT2AMAPT | |
| SCHEMBL7934936 | 0.86 | ALDH1A1 (0.65) | ALDH1A1HTTPOLBKMT2AMAPT | |
| SCHEMBL14492204 | 0.86 | ALDH1A1 (0.65) | ALDH1A1HTTPOLBKMT2AMAPT |
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-116234546-A | GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases | 嘉兴优博生物技术有限公司 | 2023-06-06 | — | — | CN | disclosed |