Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PCNA | P12004 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL16015426 | 0.87 | TP53 (0.41) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL20109500 | 0.85 | NPC1 (0.38) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL20108965 | 0.77 | MTNR1A (0.47) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL20108967 | 0.77 | HTT (0.39) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL20108955 | 0.74 | TLR8 (0.36) | NPC1KDM4EPDE3BPDE3AHPGD | |
| SCHEMBL20109822 | 0.74 | LMNA (0.40) | ALOX15TDP1 | |
| SCHEMBL14233716 | 0.73 | HPGD (0.41) | MTNR1AMTNR1BTP53KDM4EHDAC6 | |
| SCHEMBL20109890 | 0.73 | SORD (0.31) | — | |
| SCHEMBL20108966 | 0.72 | MTNR1A (0.38) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL14424238 | 0.71 | SORD (0.31) | — |
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 |