Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | GRB2 | P62993 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CASP2 | P42575 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400113 | 0.97 | CALCRL (0.51) | CALCRLSLC6A2CTSDBACE1GRB2 | |
| SCHEMBL7396690 | 0.94 | SLC6A2 (0.46) | CALCRLSLC6A2CTSDBACE1GRB2 | |
| SCHEMBL9068934 | 0.94 | CALCRL (0.52) | CALCRLSLC6A2KEAP1KISS1R | |
| SCHEMBL9082723 | 0.91 | CALCRL (0.55) | CALCRLSLC6A2KEAP1KISS1RCASP3 | |
| SCHEMBL31497328 | 0.88 | KEAP1 (0.52) | CALCRLKEAP1STAT3KISS1R | |
| SCHEMBL6524705 | 0.87 | BACE1 (0.48) | CALCRLSLC6A2CTSDBACE1GRB2 | |
| SCHEMBL29733288 | 0.86 | CALCRL (0.51) | CALCRLSLC6A2CTSDBACE1CMA1 | |
| SCHEMBL31497340 | 0.85 | KEAP1 (0.54) | CALCRLKEAP1STAT3KISS1R | |
| SCHEMBL30307496 | 0.85 | GRB2 (0.48) | CALCRLSLC6A2CTSDBACE1GRB2 | |
| SCHEMBL30341674 | 0.84 | SLC6A2 (0.48) | CALCRLSLC6A2GRB2STAT3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5504070-A | ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1996-04-02 | — | — | US | claimed |
| WO-1993011154-A1 | INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN | BERLEX LABORATORIES, INC. (US) | 1993-06-10 | — | — | WO | claimed |
| US-5504070-A | ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1996-04-02 | — | — | US | disclosed |
| WO-1993011154-A1 | INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN | BERLEX LABORATORIES, INC. (US) | 1993-06-10 | — | — | WO | disclosed |