Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Tak-441 SCHEMBL1061476 | 0.90 | SMO (1.00) | SMOKMT2AALDH1A1 | |
| SCHEMBL1063092 | 0.89 | SMO (0.75) | SMONPC1ALDH1A1CYP3A4 | |
| SCHEMBL1058049 | 0.88 | SMO (0.86) | SMOKMT2ANPC1ALDH1A1 | |
| SCHEMBL1062967 | 0.86 | SMO (0.87) | SMO | |
| SCHEMBL1063456 | 0.86 | SMO (0.82) | SMOALDH1A1 | |
| SCHEMBL1060990 | 0.85 | SMO (0.81) | SMOALDH1A1 | |
| SCHEMBL1062738 | 0.85 | SMO (0.70) | SMOKMT2AALDH1A1 | |
| SCHEMBL10003646 | 0.85 | SMO (0.80) | SMOALDH1A1 | |
| SCHEMBL1061668 | 0.85 | SMO (0.73) | SMOALDH1A1CYP3A4 | |
| SCHEMBL10004270 | 0.84 | SMO (0.73) | SMOKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102015705-B | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2013-11-13 | — | — | CN | disclosed |