Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL18279730 | 0.87 | KCNQ3 (0.32) | — | |
| SCHEMBL17008235 | 0.87 | KCNQ3 (0.32) | — | |
| SCHEMBL17008637 | 0.83 | POLB (0.36) | TSHRPOLB | |
| SCHEMBL17008210 | 0.81 | MAPT (0.40) | MAPTPKMCA1CA2CA9 | |
| SCHEMBL28519594 | 0.74 | MAPT (0.57) | MAPTPKMTSHRALDH1A1TP53 | |
| SCHEMBL28519467 | 0.74 | MAPT (0.57) | MAPTPKMTSHRALDH1A1TP53 | |
| SCHEMBL17802901 | 0.70 | MAPT (0.36) | MAPTPKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL21611382 | 0.69 | MAPT (0.35) | MAPTPKMALDH1A1GAA | |
| SCHEMBL21611385 | 0.69 | MAPT (0.35) | MAPTPKMALDH1A1GAA | |
| SCHEMBL21611380 | 0.69 | MAPT (0.35) | MAPTPKMALDH1A1GAA |
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-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |
| WO-2015123089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |