Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 3/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205908 | 0.92 | MGLL (0.47) | MGLLTOP2ATOP2BNPC1RAB9A | |
| SCHEMBL16015423 | 0.85 | MAPT (0.45) | MGLLTOP2ATOP2BNPC1RAB9A | |
| SCHEMBL24991645 | 0.84 | IDO1 (0.50) | MGLLTOP2ATOP2BNPC1RAB9A | |
| SCHEMBL27831472 | 0.83 | MEN1 (0.43) | MGLLNPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL14543133 | 0.82 | MEN1 (0.54) | NPC1RAB9ALMNASMN1; SMN2MEN1 | |
| SCHEMBL6206459 | 0.81 | TOP2A (0.52) | MGLLTOP2ATOP2BNPC1RAB9A | |
| SCHEMBL3151323 | 0.81 | HCAR2 (0.56) | CYP3A4MMP1MMP2MMP9MMP12 | |
| SCHEMBL23849386 | 0.81 | HCAR2 (0.56) | LMNACYP3A4ALDH1A1MMP1MMP2 | |
| SCHEMBL15730048 | 0.79 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| Benzyl N-Methylcarbamate SCHEMBL645204 | 0.79 | ALDH1A1 (0.62) | MGLLTOP2ATOP2BNPC1RAB9A |
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 |