Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093237 | 0.69 | TLR8 (0.34) | — | |
| SCHEMBL8466087 | 0.63 | TSHR (0.48) | CYP3A4TSHRPIK3CACD44ALDH1A1 | |
| SCHEMBL18762305 | 0.61 | CD44 (0.46) | CYP3A4TSHRPIK3CACD44ALDH1A1 | |
| SCHEMBL10426197 | 0.61 | CD44 (0.46) | CYP3A4TSHRPIK3CANSD2CD44 | |
| SCHEMBL4259819 | 0.60 | HSD17B10 (0.36) | CYP3A4TSHRPIK3CACD44ALDH1A1 | |
| SCHEMBL21799647 | 0.60 | PLK1 (0.41) | CYP3A4ALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL9376507 | 0.60 | ALDH1A1 (0.47) | CYP3A4TSHRPIK3CANSD2ALDH1A1 | |
| SCHEMBL3672638 | 0.60 | CYP3A4 (0.35) | CYP3A4TSHRPIK3CACD44ALDH1A1 | |
| SCHEMBL23465368 | 0.59 | HDAC1 (0.39) | CYP3A4TSHRPIK3CA | |
| SCHEMBL10875709 | 0.59 | CD44 (0.43) | CYP3A4TSHRPIK3CANSD2CD44 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240485-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Pharmaceutical Company Limited (JP) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009093747-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-07-30 | — | — | WO | disclosed |