Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL10004809 | 0.92 | SMO (0.47) | SMOKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL10316207 | 0.88 | SMO (0.47) | SMOKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL11976395 | 0.88 | SMO (0.49) | SMOKDM4EALDH1A1 | |
| SCHEMBL10316157 | 0.86 | SMO (0.50) | SMOKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL12826288 | 0.85 | SMO (0.51) | SMOALDH1A1ACSS2 | |
| SCHEMBL10316145 | 0.85 | SMO (0.47) | SMOALDH1A1 | |
| SCHEMBL10316187 | 0.85 | SMO (0.45) | SMOALDH1A1MAPTPARP1 | |
| SCHEMBL10004581 | 0.84 | SMO (0.49) | SMOALDH1A1 | |
| SCHEMBL10316143 | 0.83 | SMO (0.48) | SMOKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL10316167 | 0.82 | ALDH1A1 (0.49) | SMOKDM4EALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927718-B2 | Fused heterocyclic ring derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-06 | — | — | US | disclosed |
| EP-2471791-B1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-11-12 | — | — | EP | disclosed |
| EP-2471791-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011024873-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |