Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PCNA | P12004 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16015422 | 0.85 | NPSR1 (0.46) | MTNR1AMTNR1BNPSR1NR4A2BRD4 | |
| SCHEMBL20109297 | 0.84 | NPSR1 (0.46) | MTNR1AMTNR1BNPSR1TP53HDAC6 | |
| SCHEMBL14027361 | 0.79 | BRD4 (0.61) | MTNR1AMTNR1BNPSR1NR4A2BRD4 | |
| SCHEMBL20109474 | 0.77 | MTNR1A (0.39) | MTNR1AMTNR1BNPSR1NR4A2CCNC | |
| SCHEMBL20108966 | 0.76 | MTNR1A (0.38) | MTNR1AMTNR1BNPSR1NR4A2CCNC | |
| SCHEMBL12851363 | 0.73 | HRH3 (0.56) | CYP1A2CYP2C19 | |
| SCHEMBL24742543 | 0.73 | NPSR1 (0.50) | MTNR1AMTNR1BNPSR1BRD4POLB | |
| SCHEMBL14233697 | 0.72 | NPSR1 (0.50) | MTNR1AMTNR1BNPSR1TP53KCNH2 | |
| SCHEMBL20109375 | 0.72 | FFAR1 (0.46) | MTNR1AMTNR1BHDAC1HDAC6PCNA | |
| SCHEMBL3630858 | 0.72 | GRIN2D (0.44) | NPSR1KCNH2 |
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-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |