Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PARK7 | Q99497 | 5/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29385380 | 0.69 | ALDH1A1 (0.63) | ALDH1A1KDM4EPARK7ALDH2ALDH3A1 | |
| SCHEMBL2823271 | 0.67 | ALDH1A1 (0.59) | ALDH1A1KDM4EPARK7ALDH2ALDH3A1 | |
| SCHEMBL3859755 | 0.62 | RXFP1 (0.49) | ALDH1A1KDM4EALDH2ALDH3A1GSK3A | |
| SCHEMBL11146494 | 0.61 | GRM2 (0.52) | ALDH1A1PKM | |
| SCHEMBL22235758 | 0.61 | ALDH1A1 (0.60) | ALDH1A1KDM4EPARK7ALDH2ALDH3A1 | |
| SCHEMBL23633187 | 0.61 | FFAR1 (0.58) | ALDH1A1 | |
| SCHEMBL8066978 | 0.61 | KDM4E (0.69) | ALDH1A1KDM4EPARK7ALDH2ALDH3A1 | |
| Hydrochloric Acid SCHEMBL28290331 | 0.60 | OPRM1 (0.51) | — | |
| Urea SCHEMBL2006220 | 0.60 | FFAR1 (0.62) | ALDH1A1 | |
| Carbamic Acid SCHEMBL2222080 | 0.60 | FFAR1 (0.62) | ALDH1A1 |
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-0983243-A1 | NOVEL QUINOLINE- AND NAPHTHALENECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING CALPAIN | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998041506-A1 | NOVEL QUINOLINE- AND NAPHTHALENECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING CALPAIN | SMITHKLINE BEECHAM CORPORATION (US) | 1998-09-24 | — | — | WO | disclosed |