Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PCNA | P12004 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16015424 | 0.87 | MAPK1 (0.39) | MTNR1AMTNR1BNR4A2NPC1TP53 | |
| SCHEMBL20108965 | 0.76 | MTNR1A (0.47) | MTNR1AMTNR1BNR4A2NPC1TP53 | |
| SCHEMBL14234687 | 0.75 | MAPT (0.40) | TP53MPOLMNAADORA2AADORA1 | |
| SCHEMBL20109474 | 0.72 | MTNR1A (0.39) | MTNR1AMTNR1BNR4A2NPC1TP53 | |
| SCHEMBL20109473 | 0.70 | MTNR1A (0.39) | MTNR1AMTNR1BHDAC1CCNCCDK8 | |
| SCHEMBL19287608 | 0.67 | HPGD (0.34) | NPC1HDAC1HDAC6RAB9AALDH1A1 | |
| SCHEMBL4023871 | 0.67 | DAO (0.41) | MTNR1AMTNR1BNR4A2MAPK1HDAC1 | |
| SCHEMBL20108967 | 0.67 | HTT (0.39) | MTNR1AMTNR1BNR4A2NPC1TP53 | |
| SCHEMBL8979538 | 0.65 | TP53 (0.51) | MTNR1AMTNR1BNR4A2NPC1TP53 | |
| SCHEMBL8027585 | 0.65 | MPO (0.50) | MTNR1AMTNR1BCCNCCDK8POLB |
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 |