Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | SELP | P16109 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10292460 | 0.91 | SMO (0.47) | SMOALDH1A1POLB | |
| SCHEMBL10003448 | 0.86 | SMO (0.55) | SMONPC1ALDH1A1CYP3A4CHEK1 | |
| SCHEMBL12825355 | 0.85 | SMO (0.47) | SMOCCNT1CDK9 | |
| SCHEMBL10292536 | 0.83 | SMO (0.46) | SMOCCNT1CDK9 | |
| SCHEMBL1063092 | 0.78 | SMO (0.75) | SMONPC1ALDH1A1CYP3A4BCHE | |
| SCHEMBL10003934 | 0.77 | SMO (0.55) | SMOALDH1A1POLB | |
| SCHEMBL16588412 | 0.76 | SMO (0.42) | SMOTYRO3ALKPTK2CCNT1 | |
| SCHEMBL10004591 | 0.75 | SMO (0.60) | SMOALDH1A1 | |
| SCHEMBL10004338 | 0.74 | SMO (0.54) | SMOALDH1A1CYP3A4MAPK1POLB | |
| SCHEMBL13708904 | 0.74 | SMO (0.64) | SMOALDH1A1 |
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-2471793-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-10-05 | — | — | EP | disclosed |