Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17823534 | 1.00 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL19950674 | 1.00 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL17824144 | 0.82 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL17823617 | 0.82 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL10600802 | 0.82 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL25352929 | 0.80 | BRD4 (0.44) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL31362601 | 0.80 | BRD4 (0.44) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL10756668 | 0.80 | BRD4 (0.44) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL13220033 | 0.78 | CYP2D6 (0.44) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 | |
| SCHEMBL13219996 | 0.78 | CYP2D6 (0.44) | CYP2D6ALDH1A1CYP3A4TSHRCYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3230281-B1 | 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES | BAYER AG (DE) | 2021-05-26 | — | — | EP | disclosed |
| WO-2008016811-A2 | AMINOPIPERIDINES AND REALTED COMPOUNDS | NEUROGEN CORPORATION (US) | 2008-02-07 | — | — | WO | disclosed |
| WO-2008016811-A2 | AMINOPIPERIDINES AND REALTED COMPOUNDS | NEUROGEN CORPORATION (US) | 2008-02-07 | — | — | WO | disclosed |