Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.49 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | SPR | P35270 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14035863 | 0.94 | HSD11B1 (0.57) | HSD11B1CYP11B2EPHX2SPRALDH1A1 | |
| SCHEMBL15492435 | 0.88 | CYP11B2 (0.49) | HSD11B1CYP11B2EPHX2SPRALDH1A1 | |
| SCHEMBL17518824 | 0.85 | CYP11B2 (0.54) | HSD11B1CYP11B2PRMT5WDR77SPR | |
| SCHEMBL19558147 | 0.84 | HSD11B1 (0.46) | HSD11B1CYP11B2PRMT5WDR77SPR | |
| SCHEMBL14035659 | 0.84 | ALDH1A1 (0.61) | HSD11B1ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL17516264 | 0.82 | HSD11B1 (0.50) | HSD11B1CYP11B2PRMT5WDR77SPR | |
| SCHEMBL15529216 | 0.81 | NPC1 (0.57) | EPHX2ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL24059287 | 0.80 | CYP11B2 (0.57) | HSD11B1CYP11B2PRMT5WDR77SPR | |
| SCHEMBL17779065 | 0.80 | CYP11B2 (0.57) | CYP11B2ALDH1A1CHRNA7CHRNB2CHRNB4 | |
| SCHEMBL25274630 | 0.79 | GPR119 (0.56) | HSD11B1CYP11B2PRMT5WDR77SPR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |
| WO-2014160592-A2 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-02 | — | — | WO | disclosed |