Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL349119 | 0.86 | CYP3A4 (0.55) | CYP3A4DRD2ALDH1A1LMNAMTNR1A | |
| SCHEMBL349485 | 0.86 | CYP3A4 (0.55) | CYP3A4DRD2ALDH1A1KDM4ELMNA | |
| SCHEMBL13760729 | 0.86 | DRD2 (0.41) | CYP3A4DRD2ALDH1A1KDM4ELMNA | |
| SCHEMBL347170 | 0.85 | CYP3A4 (0.57) | CYP3A4DRD2ALDH1A1KDM4ELMNA | |
| SCHEMBL13521970 | 0.85 | CYP3A4 (0.54) | CYP3A4DRD2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2278477 | 0.85 | CYP3A4 (0.54) | CYP3A4DRD2PPARA | |
| SCHEMBL14733246 | 0.85 | CYP3A4 (0.54) | CYP3A4DRD2ALDH1A1KDM4ELMNA | |
| SCHEMBL347672 | 0.84 | CYP3A4 (0.53) | CYP3A4ALDH1A1LMNASMN1; SMN2POLB | |
| SCHEMBL12375441 | 0.82 | CYP3A4 (0.54) | CYP3A4DRD2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL349965 | 0.82 | CYP3A4 (0.80) | CYP3A4DRD2ALDH1A1LMNASMN1; SMN2 |
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-2010003127-A2 | ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |