Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10316192 | 0.91 | SMO (0.47) | SMOHPGDALDH1A1POLBATM | |
| SCHEMBL10316165 | 0.82 | SMO (0.48) | SMOALDH1A1NAMPT | |
| SCHEMBL11976394 | 0.81 | SMO (0.48) | SMOALDH1A1 | |
| SCHEMBL1062892 | 0.77 | SMO (0.53) | SMOALDH1A1POLB | |
| SCHEMBL16230003 | 0.76 | SMO (0.52) | SMO | |
| SCHEMBL16230009 | 0.76 | SMO (0.46) | SMOALDH1A1 | |
| SCHEMBL1061805 | 0.76 | SMO (0.51) | SMO | |
| SCHEMBL1062411 | 0.76 | SMO (0.49) | SMOALDH1A1POLB | |
| SCHEMBL1057745 | 0.75 | SMO (0.51) | SMOALDH1A1POLB | |
| SCHEMBL16230014 | 0.75 | SMO (0.55) | SMOHPGD |
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-2471791-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |