Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15619097 | 0.94 | ALDH1A1 (0.45) | LMNASLC22A6TSHRNFKB1PMP22 | |
| SCHEMBL4381355 | 0.92 | ALDH1A1 (0.48) | LMNASLC22A6TSHRNFKB1PMP22 | |
| SCHEMBL5238163 | 0.87 | CA2 (0.40) | LMNASLC22A6TSHRNFKB1PMP22 | |
| SCHEMBL575713 | 0.82 | CA2 (0.44) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL576009 | 0.82 | CA2 (0.44) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL23291930 | 0.80 | CA2 (0.46) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL14779178 | 0.80 | CA2 (0.46) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL4952312 | 0.80 | CA2 (0.46) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL2735589 | 0.80 | CA2 (0.46) | LMNATSHRCA1CA2ALDH1A1 | |
| SCHEMBL8398329 | 0.80 | CA2 (0.46) | LMNATSHRCA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009080722-A2 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-07-02 | — | — | WO | disclosed |
| EP-0365045-A1 | Perhydrothiazepine derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1990-04-25 | — | — | EP | disclosed |