Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 3/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30111793 | 0.78 | ACACB (0.38) | ACACBTIPARPHRH3CYP11B2 | |
| SCHEMBL29277464 | 0.72 | LOXL2 (0.31) | — | |
| SCHEMBL30694876 | 0.71 | CHRNB4 (0.36) | CHRNB4CHRNA3HRH3CHRNB2CHRNA4 | |
| SCHEMBL24034892 | 0.70 | HTR2C (0.37) | — | |
| Hydrochloric Acid SCHEMBL30111818 | 0.69 | HTR2C (0.36) | — | |
| Hydrochloric Acid SCHEMBL28906178 | 0.69 | HTR2C (0.36) | — | |
| SCHEMBL21590964 | 0.68 | PDE3B (0.38) | ACACBCHRNB4CHRNA3HRH3CHRNB2 | |
| SCHEMBL30261951 | 0.67 | GPR119 (0.41) | — | |
| SCHEMBL26095331 | 0.67 | GPR119 (0.41) | — | |
| SCHEMBL25301249 | 0.65 | LOXL2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |