Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3747593 | 0.91 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6ADORA3ADORA2B | |
| SCHEMBL3665042 | 0.78 | POLB (0.44) | CYP1A2ADORA3ADORA2BPOLBALDH1A1 | |
| SCHEMBL3746600 | 0.75 | CYP1A2 (0.39) | CYP1A2ADORA3ADORA2BPOLBALDH1A1 | |
| SCHEMBL2084414 | 0.71 | CRHR1 (0.40) | ALDH1A1CRHR1KMT2AMEN1TSHR | |
| SCHEMBL3747677 | 0.71 | CRHR1 (0.43) | CYP1A2CYP3A4CYP2D6ADORA3ADORA2B | |
| SCHEMBL3220263 | 0.71 | GRIN2D (0.35) | CYP1A2CYP3A4CYP2D6LMNACRHR1 | |
| SCHEMBL3208581 | 0.68 | ALDH1A1 (0.46) | POLBALDH1A1CRHR1MAPTKMT2A | |
| SCHEMBL3736376 | 0.65 | CRHR1 (0.36) | CRHR1 | |
| SCHEMBL3754756 | 0.65 | TNF (0.41) | CRHR1 | |
| SCHEMBL2083841 | 0.64 | CRHR1 (0.33) | CRHR1 |
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 |