Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | 0.81 | HTT (0.40) | HTTTP53KMT2AKDM4EALDH1A1 | |
| SCHEMBL10051192 | 0.74 | NOS3 (0.43) | HTTNOS3NOS2RAB9AKDM4E | |
| SCHEMBL23015828 | 0.74 | CYP1A2 (0.38) | HTTTP53RAB9AKLF5SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27633883 | 0.73 | NOS3 (0.42) | HTTNOS3NOS2RAB9AKDM4E | |
| SCHEMBL2091085 | 0.71 | HTT (1.00) | HTTRAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL1425022 | 0.69 | HTT (0.43) | HTTNOS3NOS2KMT2AKDM4E | |
| SCHEMBL16015434 | 0.69 | NOS3 (0.44) | HTTNOS3NOS2KMT2AALDH1A1 | |
| SCHEMBL20069377 | 0.68 | HTT (0.38) | HTTKMT2AALDH1A1LMNAHSD17B10 | |
| SCHEMBL23015766 | 0.68 | NR4A2 (0.35) | HTTTP53RAB9AKLF5SMN1; SMN2 | |
| SCHEMBL5190751 | 0.68 | ALDH1A1 (0.46) | HTTSMN1; SMN2KDM4EALDH1A1LMNA |
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 |