Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | KCNT1 | Q5JUK3 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16564136 | 0.83 | ALOX15 (0.43) | ROCK1TRPV1MAPT | |
| SCHEMBL16563580 | 0.80 | RAB9A (0.46) | HSD17B10NPC1RAB9ABRAFKDR | |
| SCHEMBL16563685 | 0.76 | STIM1 (0.45) | ALDH1A1TRPV1 | |
| SCHEMBL16563560 | 0.74 | STIM1 (0.41) | ALDH1A1TRPV1MAPTMEN1KMT2A | |
| SCHEMBL16564086 | 0.73 | ROCK1 (0.44) | ROCK1ALDH1A1CYP3A4HSD17B10POLB | |
| SCHEMBL16564132 | 0.71 | KMT2A (0.44) | ALDH1A1CYP3A4POLBNPC1RAB9A | |
| SCHEMBL16563435 | 0.70 | NPC1 (0.48) | ALDH1A1NPC1RAB9AFOXO1PDE10A | |
| SCHEMBL14263666 | 0.69 | KCNT1 (0.45) | ROCK1ALDH1A1CYP3A4HSD17B10POLB | |
| SCHEMBL16563648 | 0.69 | MAPT (0.52) | POLBRAB9AMAPT | |
| SCHEMBL16563837 | 0.69 | ALDH1A1 (0.39) | ROCK1ALDH1A1HSD17B10NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2848615-A1 | New pyrazole derivatives as CRAC channel modulators | Almirall, S.A. (ES) | 2015-03-18 | — | — | EP | claimed |
| EP-2848615-A1 | New pyrazole derivatives as CRAC channel modulators | Almirall, S.A. (ES) | 2015-03-18 | — | — | EP | disclosed |