Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | IL2 | P60568 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12241471 | 0.91 | NPC1 (0.52) | NPC1RAB9ATP53MAPK1HTT | |
| SCHEMBL12241474 | 0.79 | NPC1 (0.53) | NPC1RAB9ATP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL12241467 | 0.78 | RAB9A (0.49) | NPC1RAB9ATP53HTTALOX15 | |
| SCHEMBL12155518 | 0.78 | STIM1 (0.56) | NPC1RAB9ATP53MAPK1HTT | |
| SCHEMBL12241480 | 0.77 | ATR (0.45) | NPC1RAB9ATP53MAPK1HTT | |
| SCHEMBL12241481 | 0.76 | PDCD1 (0.39) | NPC1RAB9ATP53MAPK1ALDH1A1 | |
| SCHEMBL12155623 | 0.76 | NPC1 (0.60) | NPC1RAB9ATP53MAPK1HTT | |
| SCHEMBL12155449 | 0.76 | STIM1 (0.57) | NPC1RAB9ATP53MAPK1HTT | |
| SCHEMBL12155516 | 0.73 | ATR (0.44) | ALOX15IL2 | |
| SCHEMBL16572575 | 0.73 | ATR (0.43) | NPC1RAB9ATP53ALDH1A1SMN1; 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-2563776-B1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC (US) | 2016-06-08 | — | — | EP | disclosed |