Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28503419 | 1.00 | POLB (0.40) | POLBMCHR1ACHEBACE1MTNR1A | |
| SCHEMBL30870535 | 0.90 | POLB (0.36) | POLBACHEBACE1MTNR1AMTNR1B | |
| SCHEMBL29198186 | 0.90 | POLB (0.36) | POLBACHEBACE1MTNR1AMTNR1B | |
| SCHEMBL30870513 | 0.89 | CYP19A1 (0.38) | POLBACHEBACE1GRM4ALDH1A1 | |
| SCHEMBL29198266 | 0.89 | CYP19A1 (0.38) | POLBACHEBACE1GRM4ALDH1A1 | |
| SCHEMBL28516339 | 0.88 | POLB (0.36) | POLBMTNR1AMTNR1BNLRP3GRM4 | |
| SCHEMBL30870543 | 0.88 | POLB (0.40) | POLBMCHR1ACHEBACE1MTNR1A | |
| SCHEMBL28508892 | 0.88 | POLB (0.40) | POLBMCHR1ACHEBACE1MTNR1A | |
| SCHEMBL30870585 | 0.87 | POLB (0.39) | POLBMCHR1ACHEBACE1MTNR1A | |
| SCHEMBL28507962 | 0.87 | POLB (0.39) | POLBMCHR1ACHEBACE1MTNR1A |
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-112074511-B | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2024-04-26 | — | — | CN | disclosed |