Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617295 | 1.00 | CTSK (0.48) | CTSKSLC6A2SLC6A4TP53ADCY1 | |
| SCHEMBL16617294 | 1.00 | CTSK (0.48) | CTSKSLC6A2SLC6A4TP53ADCY1 | |
| SCHEMBL16617324 | 0.90 | ACKR3 (0.46) | CTSKSLC6A2SLC6A4TP53MAPT | |
| SCHEMBL16617323 | 0.90 | ACKR3 (0.46) | CTSKSLC6A2SLC6A4TP53MAPT | |
| SCHEMBL16618101 | 0.88 | CTSK (0.49) | CTSKTP53ADCY1CACNA1HCACNA1C | |
| SCHEMBL16638002 | 0.84 | SLC6A2 (0.43) | CTSKSLC6A2SLC6A4TP53MAPT | |
| SCHEMBL16618005 | 0.84 | SLC6A2 (0.43) | CTSKSLC6A2SLC6A4TP53MAPT | |
| SCHEMBL16617814 | 0.84 | SLC6A2 (0.39) | CTSKSLC6A2SLC6A4ACKR3HPGD | |
| SCHEMBL16617813 | 0.84 | SLC6A2 (0.39) | CTSKSLC6A2SLC6A4ACKR3HPGD | |
| SCHEMBL16636350 | 0.81 | SLC6A2 (0.45) | CTSKSLC6A2SLC6A4TP53MAPT |
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-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |