Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD5 | P21918 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL62964 | 0.87 | NUDT1 (0.42) | NUDT1BACE1TAAR1SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL52192 | 0.85 | NUDT1 (0.41) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL26032266 | 0.80 | NUDT1 (0.47) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL31734454 | 0.79 | SOS1 (0.38) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL18295013 | 0.79 | SOS1 (0.40) | NUDT1BACE1TAAR1SLC6A2SLC6A3 | |
| SCHEMBL16344820 | 0.79 | CYP4F2 (0.45) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL15614975 | 0.78 | NUDT1 (0.53) | NUDT1BACE1TAAR1SLC6A2SLC6A3 | |
| SCHEMBL12329238 | 0.77 | NUDT1 (0.45) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL21494904 | 0.76 | SOS1 (0.36) | NUDT1BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL17186198 | 0.76 | NUDT1 (0.51) | NUDT1BACE1TAAR1SLC6A2SLC6A3 |
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 4 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 |
| CN-101379022-B | Benzamide and heteroarene derivatives | HOFFMANN LA ROCHE | 2013-05-01 | — | — | CN | disclosed |
| CN-101379022-A | Benzamide and heteroarene derivatives | HOFFMANN LA ROCHE (CH) | 2009-03-04 | — | — | CN | disclosed |