Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | IL2 | P60568 | 9/20 | 0.45 |
| ▸ | STIM1 | Q13586 | 3/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17049817 | 0.90 | IL2 (0.44) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12241592 | 0.89 | SMN1; SMN2 (0.52) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12155899 | 0.87 | IL2 (0.59) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12241606 | 0.85 | NPC1 (0.44) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12155896 | 0.84 | STIM1 (0.60) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12241603 | 0.83 | RAB9A (0.55) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12155776 | 0.83 | SMN1; SMN2 (0.51) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12156279 | 0.82 | IL2 (0.56) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12241576 | 0.81 | SMN1; SMN2 (0.49) | NPC1RAB9AIL2STIM1ORAI1 | |
| SCHEMBL12156276 | 0.80 | STIM1 (0.56) | NPC1RAB9AIL2STIM1ORAI1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9120751-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2015-09-01 | — | — | US | disclosed |