Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL397285 | 0.86 | S1PR4 (0.36) | PTGDR2SLC6A4NPC1RAB9AS1PR4 | |
| SCHEMBL12451178 | 0.86 | PTGDR2 (0.34) | PTGDR2NPC1RAB9A | |
| SCHEMBL10072773 | 0.73 | SYK (0.36) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL10013572 | 0.73 | GRM5 (0.36) | PTGDR2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL393233 | 0.72 | PTGDR2 (0.34) | PTGDR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18188367 | 0.65 | GRM5 (0.49) | PTGDR2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4568667 | 0.64 | S1PR4 (0.39) | PTGDR2SLC6A4NPC1RAB9AS1PR4 | |
| SCHEMBL14092175 | 0.64 | CYP2D6 (0.39) | PTGDR2SLC6A4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL16182221 | 0.63 | — | — | |
| SCHEMBL398940 | 0.62 | HSD17B10 (0.42) | MAPTALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2043646-B1 | (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE | LILLY CO ELI (US) | 2012-05-16 | — | — | EP | disclosed |