Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 8/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6264592 | 0.71 | CA1 (0.40) | KMT2ACYP2C19 | |
| SCHEMBL13657421 | 0.69 | GAA (0.56) | SMN1; SMN2MEN1KMT2AKIF11 | |
| SCHEMBL6221498 | 0.68 | KIF11 (0.40) | ALDH1A1MEN1KMT2AKIF11 | |
| SCHEMBL1401519 | 0.67 | ROS1 (0.41) | ALDH1A1POLBLMNAHTTSMN1; SMN2 | |
| SCHEMBL4382993 | 0.67 | TGM2 (0.44) | POLBLMNAHTTMEN1KMT2A | |
| SCHEMBL473854 | 0.67 | TGM2 (0.44) | MEN1KMT2A | |
| SCHEMBL4752422 | 0.67 | CES1 (0.44) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL1695075 | 0.67 | CA9 (0.38) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL4753132 | 0.67 | TGM2 (0.44) | MEN1KMT2A | |
| SCHEMBL3817144 | 0.67 | CES1 (0.44) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2D6 |
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-1347982-A2 | SPIRO ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES | Neurogen Corporation (US) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002048152-A2 | SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES | NEUROGEN CORPORATION (US) | 2002-06-20 | — | — | WO | disclosed |