Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 5/20 | 0.33 |
| ▸ | CDK19 | Q9BWU1 | 5/20 | 0.33 |
| ▸ | SMO | Q99835 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 4/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL519126 | 0.84 | — | — | |
| SCHEMBL18355718 | 0.80 | LMNA (0.46) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| SCHEMBL22770864 | 0.80 | — | — | |
| SCHEMBL341205 | 0.77 | LMNA (0.44) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL4563303 | 0.77 | MAPT (0.46) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| SCHEMBL30048976 | 0.77 | LMNA (0.44) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL3242359 | 0.75 | MAPT (0.45) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| SCHEMBL1558282 | 0.75 | LMNA (0.43) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| SCHEMBL25209136 | 0.73 | LMNA (0.42) | LMNACHRM2ADRA2ACYP2D6TSHR | |
| SCHEMBL21273976 | 0.73 | — | — |
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-111479813-B | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2023-03-21 | — | — | CN | disclosed |