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 | 0.37 |
| ▸ | LMNA | P02545 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8299293 | 0.81 | AKR1C3 (0.45) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL22032268 | 0.81 | AKR1C3 (0.45) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL15504584 | 0.79 | AKR1C3 (0.41) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL19050632 | 0.76 | LMNA (0.40) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL19198520 | 0.76 | AKR1C3 (0.39) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL8256534 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL84459 | 0.76 | LMNA (0.58) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL24569197 | 0.74 | AKR1C3 (0.46) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL16954879 | 0.72 | AKR1C3 (0.45) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A | |
| SCHEMBL20488728 | 0.72 | AKR1C3 (0.49) | AKR1C3AKR1C2ALDH1A1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088420-A1 | 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER | Chengdu Anticancer Bioscience, Ltd. (CN) | 2023-05-25 | — | — | WO | disclosed |