Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.74 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23016555 | 0.85 | CYP3A4 (0.72) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| Hydrochloric Acid SCHEMBL8535387 | 0.85 | SLC6A4 (0.68) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL7489209 | 0.83 | CYP3A4 (0.73) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL28352484 | 0.83 | SLC6A4 (0.81) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL28521100 | 0.82 | CYP3A4 (0.68) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| Tenamfetamine SCHEMBL393456 | 0.82 | TAAR1 (1.00) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| Tenamfetamine SCHEMBL15162053 | 0.82 | TAAR1 (1.00) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL4170645 | 0.82 | TAAR1 (0.70) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| Tenamfetamine SCHEMBL30904507 | 0.82 | TAAR1 (1.00) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 | |
| Tenamfetamine SCHEMBL29392330 | 0.82 | TAAR1 (1.00) | SLC6A4TAAR1SLC6A2SLC6A3CYP3A4 |
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-2643313-A1 | QUINAZOLINE CARBOXAMIDE AZETIDINES | Merck Patent GmbH (DE) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012069146-A1 | QUINAZOLINE CARBOXAMIDE AZETIDINES | MERCK PATENT GMBH (DE) | 2012-05-31 | — | — | WO | disclosed |