Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539677 | 0.94 | SIGMAR1 (0.79) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| SCHEMBL78043 | 0.94 | SIGMAR1 (0.79) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| Ethylene SCHEMBL28207535 | 0.91 | SIGMAR1 (0.74) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| Isothiocyanate SCHEMBL2892892 | 0.85 | SIGMAR1 (0.66) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| SCHEMBL21465700 | 0.84 | SIGMAR1 (0.65) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| SCHEMBL1711070 | 0.84 | SIGMAR1 (1.00) | SIGMAR1POLBKMT2AHTT | |
| SCHEMBL27701997 | 0.84 | SIGMAR1 (0.64) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| Sulfurous Acid SCHEMBL27938413 | 0.83 | SIGMAR1 (0.64) | SIGMAR1POLBSLC6A3HTR1ADRD2 | |
| SCHEMBL4425957 | 0.82 | SIGMAR1 (0.90) | SIGMAR1POLBKMT2AMEN1HTT | |
| SCHEMBL13150782 | 0.80 | SLC6A3 (0.83) | SIGMAR1SLC6A3HTR1ADRD2ACHE |
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-105431428-A | Substituted benzoxazoles | Bayer Pharma AG | 2016-03-23 | — | — | CN | disclosed |
| CN-105408331-A | Triazolopyridines as thrombin inhibitors for the treatment of thromboembolic disorders | Bayer Pharma AG | 2016-03-16 | — | — | CN | disclosed |