Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTSH | P09668 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | IL1RN | P18510 | 2/20 | 0.37 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.37 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ECE1 | P42892 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.36 |
| ▸ | GRPR | P30550 | 3/20 | 0.36 |
| ▸ | GHSR | Q92847 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | EED | O75530 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2181903 | 0.88 | CTSC (0.44) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL31387082 | 0.85 | MME (0.48) | MME | |
| SCHEMBL2193700 | 0.85 | MMP1 (0.41) | GHSRMMP1MMP8 | |
| SCHEMBL2192303 | 0.84 | NPY4R (0.36) | GRPRBACE1 | |
| SCHEMBL2194721 | 0.84 | BACE1 (0.36) | GRPRBACE1 | |
| SCHEMBL9012384 | 0.83 | CTSC (0.54) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL6265071 | 0.83 | CTSC (0.54) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL6946752 | 0.83 | CTSC (0.54) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL9012374 | 0.83 | CTSC (0.54) | CTSCCYP1A2CYP3A4CTSHCYP2D6 | |
| SCHEMBL9438609 | 0.83 | CTSC (0.54) | CTSCCYP1A2CYP3A4CTSHCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |