Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4372720 | 0.83 | TDO2 (0.33) | PTGS2NPC1RAB9ATDO2NR4A2 | |
| SCHEMBL1490906 | 0.80 | ALDH1A1 (0.33) | CYP2A6 | |
| SCHEMBL7808119 | 0.79 | ALOX5AP (0.36) | HSD17B10CYP2A6 | |
| SCHEMBL6797075 | 0.79 | — | — | |
| SCHEMBL16564208 | 0.78 | NOTUM (0.34) | MAOBNOTUM | |
| SCHEMBL433163 | 0.76 | CYP1A2 (0.38) | AHRCYP1A2PTGS2NPC1TP53 | |
| SCHEMBL17514854 | 0.76 | GRM2 (0.38) | — | |
| SCHEMBL28172842 | 0.76 | LMNA (0.35) | CYP1A2NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL28172836 | 0.73 | MPL (0.34) | NPC1TP53RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL5646728 | 0.72 | AHR (0.43) | AHRCYP1A2PTGS2LMNACYP2A6 |
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-2477982-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |
| EP-2200607-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009035818-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2009-03-19 | — | — | WO | disclosed |