Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13181434 | 0.87 | NPSR1 (0.72) | NPSR1ADORA2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13734815 | 0.83 | NPSR1 (0.59) | NPSR1ADORA2ACYP1A2CYP2D6TSHR | |
| SCHEMBL28520175 | 0.80 | ADORA2A (0.47) | NPSR1ADORA2ACYP1A2POLBMAPK1 | |
| SCHEMBL2635459 | 0.78 | NPSR1 (0.53) | NPSR1CYP1A2CYP2D6TSHRCYP2C9 | |
| SCHEMBL17828026 | 0.78 | ADORA2A (0.43) | NPSR1ADORA2ASMN1; SMN2MAPTBRD4 | |
| SCHEMBL23015676 | 0.76 | TRPV3 (0.40) | NPSR1ADORA2ASMN1; SMN2TRPV3 | |
| SCHEMBL3747154 | 0.76 | NPSR1 (0.59) | NPSR1ADORA2ACYP1A2CYP2D6TSHR | |
| SCHEMBL20525055 | 0.75 | NPSR1 (0.58) | NPSR1ADORA2ACYP1A2CYP2D6TSHR | |
| SCHEMBL21874081 | 0.75 | NPSR1 (0.53) | NPSR1ADORA2ACYP1A2CYP2D6TSHR | |
| SCHEMBL20524911 | 0.75 | NPSR1 (0.58) | NPSR1ADORA2ACYP1A2CYP2D6TSHR |
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-3820474-A1 | ADENOSINE RECEPTOR BINDING COMPOUNDS | Nikang Therapeutics, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |