Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13787358 | 0.90 | SMN1; SMN2 (0.42) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12481961 | 0.79 | HTT (0.46) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4387696 | 0.76 | MAPT (0.61) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5667982 | 0.74 | KDM4E (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4392406 | 0.73 | ALDH1A1 (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4395355 | 0.73 | ALDH1A1 (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4383724 | 0.73 | ALDH1A1 (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5669968 | 0.73 | CYP1A2 (0.41) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5667985 | 0.72 | MAPT (0.54) | SMN1; SMN2POLBMAPTHPGDKMT2A | |
| SCHEMBL4383973 | 0.72 | EPHX2 (0.45) | SMN1; SMN2CYP1A2CYP2C19MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7973061-B2 | Anaplastic lymphoma kinase modulators and methods of use | EXELIXIS, INC. (US) | 2011-07-05 | — | — | US | disclosed |