Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1062124 | 1.00 | SMO (0.57) | SMOLMNACYP2D6CYP2C19MEN1 | |
| SCHEMBL10314247 | 0.92 | SMO (0.55) | SMOLMNACYP2D6CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL1058628 | 0.91 | SMO (0.55) | SMOLMNACYP2D6CYP2C19MEN1 | |
| SCHEMBL1063020 | 0.91 | SMO (0.68) | SMOCYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL1063022 | 0.91 | SMO (0.68) | SMOCYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL10314495 | 0.90 | SMO (0.68) | SMOLMNAALDH1A1POLB | |
| SCHEMBL1062032 | 0.90 | SMO (0.59) | SMOCYP2D6CYP2C19 | |
| SCHEMBL1063268 | 0.89 | SMO (0.72) | SMOCYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL10314246 | 0.84 | SMO (0.52) | SMOLMNA | |
| SCHEMBL1061384 | 0.84 | LMNA (0.47) | SMOLMNAMEN1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |