Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25551751 | 1.00 | AKR1C3 (0.41) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL16951664 | 0.81 | AKR1C3 (0.40) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL18473682 | 0.78 | TRPA1 (0.33) | LMNAKMT2AMEN1HRH3TP53 | |
| SCHEMBL20488728 | 0.76 | AKR1C3 (0.49) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL1926385 | 0.76 | AKR1C3 (0.49) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL4905102 | 0.76 | ORAI1 (0.42) | ALDH1A1LMNAKMT2AMEN1HRH3 | |
| SCHEMBL3885072 | 0.76 | ORAI1 (0.42) | ALDH1A1LMNAHRH3SMN1; SMN2HDAC1 | |
| SCHEMBL10178376 | 0.75 | AKR1C3 (0.37) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL20150760 | 0.75 | AKR1C3 (0.47) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL4596488 | 0.74 | TSHR (0.38) | NPSR1TRPA1TSHR |
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-115515940-A | Inhibitors of receptor interacting protein kinase I for the treatment of disease | 德州大学系统董事会 | 2022-12-23 | — | — | CN | disclosed |