Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PCNA | P12004 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16015430 | 0.87 | HTT (0.40) | HTTHSP90AB1MAPTMTNR1AMTNR1B | |
| SCHEMBL20109474 | 0.77 | MTNR1A (0.39) | MTNR1AMTNR1BKDM4ENPC1TP53 | |
| SCHEMBL20109816 | 0.74 | NOS3 (0.43) | HTTKMT2AALDH1A1MEN1 | |
| SCHEMBL20108965 | 0.71 | MTNR1A (0.47) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL16015429 | 0.69 | TP53 (0.36) | MTNR1AMTNR1BKDM4ENPC1TP53 | |
| SCHEMBL20110098 | 0.68 | HTT (0.54) | HTTKMT2AKDM4ETP53CYP1A2 | |
| SCHEMBL7457649 | 0.67 | HTT (0.48) | HTTMAPTKMT2AKDM4EALDH1A1 | |
| SCHEMBL20108966 | 0.67 | MTNR1A (0.38) | MTNR1AMTNR1BNPC1TP53CYP1A2 | |
| SCHEMBL27326931 | 0.66 | ALPL (0.41) | HSP90AB1NPC1TP53CYP1A2CYP2C9 | |
| SCHEMBL16015426 | 0.66 | TP53 (0.41) | MAPTMTNR1AMTNR1BKMT2AKDM4E |
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 |