Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 0.30 |
| ▸ | KDM1B | Q8NB78 | 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 | |
|---|---|---|---|---|
| SCHEMBL17675300 | 0.86 | PANK3 (0.40) | HTR6OPRL1PANK3 | |
| SCHEMBL62964 | 0.78 | NUDT1 (0.42) | SOS1NUDT1BACE1SLC6A2SLC6A4 | |
| SCHEMBL18295013 | 0.78 | SOS1 (0.40) | SOS1NUDT1BACE1HCRTR2HTR6 | |
| SCHEMBL31734454 | 0.78 | SOS1 (0.38) | SOS1NUDT1BACE1SCN9AHCRTR2 | |
| SCHEMBL16344820 | 0.78 | CYP4F2 (0.45) | SOS1NUDT1BACE1SCN9AHTR6 | |
| Hydrochloric Acid SCHEMBL52192 | 0.76 | NUDT1 (0.41) | SOS1NUDT1BACE1SLC6A2SLC6A4 | |
| SCHEMBL21494949 | 0.76 | NUDT1 (0.57) | NUDT1BACE1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25388637 | 0.75 | NOTUM (0.43) | OPRL1 | |
| SCHEMBL21495043 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL896163 | 0.74 | HTT (0.42) | KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3781565-A1 | 2-METHYL-AZA-QUINAZOLINES | Bayer Pharma Aktiengesellschaft (DE) | 2021-02-24 | — | — | EP | disclosed |
| WO-2019201848-A1 | 2-METHYL-AZA-QUINAZOLINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-10-24 | — | — | WO | disclosed |