Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 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 | |
|---|---|---|---|---|
| SCHEMBL14233697 | 0.89 | NPSR1 (0.50) | NPSR1MAPTHPGDLMNATP53 | |
| SCHEMBL16015433 | 0.88 | NPSR1 (0.49) | NPSR1MAPTHPGDLMNATP53 | |
| SCHEMBL20108965 | 0.84 | MTNR1A (0.47) | NPSR1TP53KCNH2MTNR1AMTNR1B | |
| SCHEMBL14234496 | 0.82 | NPSR1 (0.44) | NPSR1MAPTHPGDLMNATP53 | |
| SCHEMBL14234497 | 0.77 | NPSR1 (0.44) | NPSR1HPGDLMNATP53SMN1; SMN2 | |
| SCHEMBL20109293 | 0.76 | KCNH2 (0.55) | NPSR1HPGDKDM4EALDH1A1KCNH2 | |
| SCHEMBL16248190 | 0.76 | NPSR1 (0.46) | NPSR1HPGDALDH1A1KCNH2KMT2A | |
| SCHEMBL16015422 | 0.73 | NPSR1 (0.46) | NPSR1TP53KCNH2MTNR1AMTNR1B | |
| SCHEMBL19287605 | 0.71 | NPSR1 (0.44) | NPSR1HPGDL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL3630858 | 0.70 | GRIN2D (0.44) | NPSR1LMNAKCNH2 |
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 |