Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7643619 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2CA1CA2POLBCA14 | |
| SCHEMBL4148198 | 0.83 | ALDH1A1 (0.42) | SMN1; SMN2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL23825329 | 0.81 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL11085859 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP3A4CYP2C19CA14KMT2A | |
| SCHEMBL19294659 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2CA1CA2POLBCA14 | |
| SCHEMBL19294652 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2CA1CA2POLBCA14 | |
| SCHEMBL11422036 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2CA1CA2CYP3A4CYP2C19 | |
| SCHEMBL17085270 | 0.78 | ALDH1A1 (0.41) | SMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL21077548 | 0.78 | SMN1; SMN2 (0.42) | SMN1; SMN2CYP3A4CYP2C19CA14ALDH1A1 | |
| SCHEMBL856080 | 0.77 | SMN1; SMN2 (0.61) | SMN1; SMN2CA1CA2CYP3A4CYP2C19 |
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-2010135568-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |