Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17008343 | 0.88 | CNR2 (0.34) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18279832 | 0.83 | KCNQ3 (0.33) | — | |
| SCHEMBL17802901 | 0.80 | MAPT (0.36) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1770299 | 0.79 | MAPT (0.35) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2742456 | 0.77 | CA1 (0.39) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8647198 | 0.77 | MAPT (0.39) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19318890 | 0.77 | MAPT (0.39) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17008333 | 0.76 | SLC6A12 (0.35) | CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL21611380 | 0.76 | MAPT (0.35) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21611385 | 0.76 | MAPT (0.35) | MAPTCYP3A4CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3104705-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-12-21 | — | — | EP | disclosed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |