Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573882 | 0.89 | SMN1; SMN2 (0.34) | SMN1; SMN2MAPTNPY5RGAARAB9A | |
| SCHEMBL4574534 | 0.88 | CYP3A4 (0.31) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4574083 | 0.83 | TSHR (0.40) | SMN1; SMN2MAPTCYP3A4CYP2C9CYP1A2 | |
| SCHEMBL5323237 | 0.79 | AKT1 (0.35) | SMN1; SMN2MAPTGAARAB9ATP53 | |
| SCHEMBL4574395 | 0.77 | HCAR2 (0.35) | CYP3A4CYP2C9TP53ALDH1A1 | |
| SCHEMBL5563966 | 0.74 | SMN1; SMN2 (0.37) | SMN1; SMN2MAPTCYP3A4CYP2C9CYP1A2 | |
| SCHEMBL4575118 | 0.73 | HCRTR1 (0.30) | HCRTR1 | |
| Hydrochloric Acid SCHEMBL5329911 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL5431736 | 0.72 | ATP4A (0.44) | SMN1; SMN2MAPTCYP3A4CYP2C9GAA | |
| SCHEMBL5566503 | 0.67 | SPR (0.32) | CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008071766-A2 | SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |