Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.47 |
| ▸ | TSHR | P16473 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9204853 | 0.84 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6349369 | 0.75 | ATM (0.54) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL12068190 | 0.75 | ATM (0.54) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6351946 | 0.75 | ATM (0.54) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL15312885 | 0.75 | ATM (0.54) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3331779 | 0.73 | ATM (0.55) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8295707 | 0.73 | ATM (0.57) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL13168629 | 0.73 | CYP3A4 (0.67) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7793054 | 0.72 | NPC1 (0.39) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7277348 | 0.71 | CYP3A4 (0.43) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641328-B1 | BRIDGED AZA-BICYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2001-11-21 | — | — | EP | disclosed |
| US-5498614-A | Bridged aza-bicyclic derivatives as substance P antagonist | PFIZER INC. (US) | 1996-03-12 | — | — | US | disclosed |
| EP-0641328-A1 | BRIDGED AZA-BICYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993023380-A1 | BRIDGED AZA-BICYCLIC DERIVATIVES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1993-11-25 | — | — | WO | disclosed |