Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.44 |
| ▸ | GRK5 | P34947 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL15967644 | 0.88 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2S1PR1S1PR5GRK5 | |
| SCHEMBL14555953 | 0.88 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2S1PR1S1PR5GRK5 | |
| SCHEMBL14486732 | 0.87 | S1PR5 (0.52) | ALDH1A1SMN1; SMN2SIGMAR1S1PR1S1PR5 | |
| SCHEMBL15967678 | 0.87 | S1PR5 (0.52) | ALDH1A1SMN1; SMN2SIGMAR1S1PR1S1PR5 | |
| SCHEMBL14486740 | 0.86 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2SIGMAR1S1PR1S1PR5 | |
| SCHEMBL15984303 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2KDM2BS1PR1S1PR5 | |
| SCHEMBL2820776 | 0.82 | MAOA (0.46) | CYP3A4MAPTS1PR1S1PR5MAOA | |
| SCHEMBL27852999 | 0.82 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2KDM2BSIGMAR1KMT2A | |
| SCHEMBL24938939 | 0.81 | CYP3A4 (0.50) | ALDH1A1CYP3A4MAPTMAOAMAOB | |
| SCHEMBL4249938 | 0.81 | CYP3A4 (0.50) | ALDH1A1CYP3A4MAPTMAOAMAOB |
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-2013004291-A1 | CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS | ROTTAPHARM S.P.A. (IT) | 2013-01-10 | — | — | WO | disclosed |