Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 20/20 | 0.77 |
| ▸ | SIGMAR1 | Q99720 | 20/20 | 0.77 |
| ▸ | HRH1 | P35367 | 6/20 | 0.77 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.77 |
| ▸ | HRH2 | P25021 | 5/20 | 0.77 |
| ▸ | HTR1A | P08908 | 3/20 | 0.77 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.77 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.77 |
| ▸ | HTR2C | P28335 | 3/20 | 0.77 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.77 |
| ▸ | HTR1E | P28566 | 2/20 | 0.77 |
| ▸ | HTR2A | P28223 | 2/20 | 0.77 |
| ▸ | HTR2B | P41595 | 2/20 | 0.77 |
| ▸ | DRD1 | P21728 | 1/20 | 0.77 |
| ▸ | HTR1B | P28222 | 1/20 | 0.77 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.77 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL30449380 | 1.00 | TMEM97 (0.77) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL5456675 | 0.90 | TMEM97 (0.70) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL19521478 | 0.87 | TMEM97 (1.00) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL21800330 | 0.86 | TMEM97 (0.60) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL23673943 | 0.85 | TMEM97 (0.56) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL29974284 | 0.85 | TMEM97 (0.56) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL22529537 | 0.85 | TMEM97 (0.56) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL21591628 | 0.84 | TMEM97 (0.60) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL23854670 | 0.84 | TMEM97 (0.60) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL21800260 | 0.84 | TMEM97 (0.57) | TMEM97SIGMAR1HRH1HRH3HRH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114075219-B | Quinoline condensed ring derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-114621230-B | Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114276351-B | Nitrogen-containing heterocyclic derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114621230-A | Nitrogen-containing heterocyclic compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114276351-A | Nitrogenous heterocyclic derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-114075219-A | Quinoline condensed ring derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-02-22 | — | — | CN | disclosed |