Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 2/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL17045201 | 0.81 | STIM1 (0.40) | STIM1ORAI1ADORA3ADORA2AADORA1 | |
| SCHEMBL16464984 | 0.81 | STIM1 (0.49) | STIM1ORAI1ADORA3ADORA2AADORA1 | |
| SCHEMBL16464960 | 0.76 | STIM1 (0.61) | STIM1ORAI1ADORA2AADORA1RAB9A | |
| SCHEMBL17045200 | 0.75 | STIM1 (0.42) | STIM1ORAI1ADORA3ADORA2AADORA1 | |
| SCHEMBL16463664 | 0.75 | STIM1 (0.52) | STIM1ORAI1KMT2A | |
| SCHEMBL24656216 | 0.69 | ADORA3 (0.45) | ADORA3ADORA2AADORA1NPC1PKM | |
| SCHEMBL18038399 | 0.68 | STIM1 (0.39) | STIM1ORAI1ADORA3ADORA2AADORA1 | |
| SCHEMBL17045197 | 0.68 | STIM1 (0.51) | STIM1ORAI1NPC1RAB9A | |
| SCHEMBL16465852 | 0.67 | STIM1 (0.62) | STIM1ORAI1 | |
| SCHEMBL18038393 | 0.66 | STIM1 (0.45) | STIM1ORAI1NPC1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014059333-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2014-04-17 | — | — | WO | disclosed |