Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 3/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | CRACR2A | Q9BSW2 | 5/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17376781 | 0.89 | CRACR2A (0.44) | STIM1ORAI1PDE4BCRACR2ACHRNB2 | |
| SCHEMBL16783100 | 0.84 | STIM1 (0.42) | STIM1ORAI1PDE4BCRACR2ACHRNB2 | |
| SCHEMBL16783020 | 0.83 | PDE4B (0.40) | STIM1ORAI1PDE4BCHRNB2CHRNB4 | |
| SCHEMBL16783097 | 0.83 | STIM1 (0.39) | STIM1ORAI1PDE4BCRACR2ACHRNB2 | |
| SCHEMBL17376780 | 0.81 | STIM1 (0.43) | STIM1ORAI1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16782962 | 0.80 | STIM1 (0.38) | STIM1ORAI1CRACR2ACHRNB2CHRNB4 | |
| SCHEMBL17376774 | 0.79 | STIM1 (0.42) | STIM1ORAI1PDE4BCHRNB2CHRNB4 | |
| SCHEMBL17319163 | 0.78 | PDE4B (0.39) | STIM1ORAI1PDE4BCHRNB2CHRNB4 | |
| SCHEMBL15861503 | 0.78 | WNT3A (0.38) | STIM1ORAI1PDE4BCHRNB2CHRNB4 | |
| SCHEMBL16782972 | 0.76 | NPY5R (0.41) | STIM1ORAI1CRACR2AIDO1GRM5 |
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-2015197187-A1 | PYRAZOLYL-BASED CARBOXAMIDES V | Grünenthal GmbH (DE) | 2015-12-30 | — | — | WO | disclosed |