Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.46 |
| ▸ | F13A1 | P00488 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | TGM1 | P22735 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6901870 | 0.86 | CTSL (0.57) | CTSLCTSBCTSKALDH1A1GAA | |
| SCHEMBL1871194 | 0.82 | TGM2 (0.67) | CTSLCTSBCTSKALDH1A1GAA | |
| SCHEMBL6901859 | 0.81 | KMT2A (0.50) | ALDH1A1MEN1KMT2A | |
| Nitrobenzene SCHEMBL28019505 | 0.80 | EPHX1 (0.67) | ALDH1A1GAAMEN1KMT2ATSHR | |
| SCHEMBL6902881 | 0.79 | TGM2 (0.69) | CTSLCTSBCTSKALDH1A1GAA | |
| SCHEMBL21227845 | 0.79 | SIGMAR1 (0.53) | SIGMAR1MEN1KMT2AHSD11B1 | |
| SCHEMBL6901635 | 0.78 | SMN1; SMN2 (0.52) | SIGMAR1MEN1KMT2AF13A1TGM2 | |
| SCHEMBL2199000 | 0.77 | EPHX1 (0.72) | ALDH1A1GAAMEN1KMT2AEPHX1 | |
| SCHEMBL30981394 | 0.76 | SIGMAR1 (0.52) | CTSLCTSBCTSKALDH1A1GAA | |
| SCHEMBL20590829 | 0.76 | ALDH1A1 (0.55) | ALDH1A1GAASIGMAR1TSHREPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011060321-A1 | TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI, INC. (US) | 2011-05-19 | — | — | WO | disclosed |