Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2357195 | 0.87 | SCN9A (0.45) | MAPK14LMNASMN1; SMN2SCN9ACA1 | |
| SCHEMBL2352914 | 0.84 | CYP3A4 (0.48) | RORCCYP3A4MAPK14LMNASMN1; SMN2 | |
| SCHEMBL2171613 | 0.78 | EPHX2 (0.51) | CYP3A4LMNASMN1; SMN2KDM4E | |
| SCHEMBL2172340 | 0.74 | SCN9A (0.51) | SCN9AFPR2ADRB1ADRB3 | |
| SCHEMBL2172331 | 0.72 | S1PR1 (0.52) | SMN1; SMN2SCN9ABRD4KDM4EKMT2A | |
| SCHEMBL2356374 | 0.72 | MAPK14 (0.48) | MAPK14 | |
| SCHEMBL2169794 | 0.70 | ALDH1A1 (0.45) | LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL2172986 | 0.70 | ALDH1A1 (0.40) | CYP3A4LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL2171604 | 0.70 | SCN9A (0.44) | LMNASMN1; SMN2SCN9AFPR2KDM4E | |
| SCHEMBL2171837 | 0.70 | ALDH1A1 (0.52) | CYP3A4SCN9AFPR2KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |