Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.64 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1059600 | 0.85 | SMO (0.84) | SMOLMNAKMT2AKDM4EALDH1A1 | |
| SCHEMBL17677392 | 0.82 | SMO (0.61) | SMOLMNAKDM4EALDH1A1 | |
| SCHEMBL13708874 | 0.81 | LMNA (0.46) | SMOMCL1LMNAKMT2ANPSR1 | |
| SCHEMBL13708909 | 0.80 | LMNA (0.44) | SMOLMNAKMT2ANPSR1KDM4E | |
| SCHEMBL10004843 | 0.79 | SMO (0.72) | SMOKMT2AKDM4EALDH1A1 | |
| Tak-441 SCHEMBL1061476 | 0.78 | SMO (1.00) | SMOKMT2ANPSR1KDM4EALDH1A1 | |
| SCHEMBL13708854 | 0.78 | LMNA (0.39) | SMOLMNA | |
| SCHEMBL12824871 | 0.77 | SMO (0.52) | SMOMCL1LMNAKMT2ANPSR1 | |
| SCHEMBL12824618 | 0.77 | SMO (0.50) | SMOMCL1KMT2A | |
| SCHEMBL10004647 | 0.76 | SMO (0.70) | SMO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | WO | disclosed |