Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL278630 | 0.84 | CASR (0.58) | CASRIDO1AGXTL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL14343449 | 0.82 | CASR (0.57) | CASRIDO1AGXTL3MBTL1ALDH1A1 | |
| SCHEMBL23995592 | 0.81 | CASR (0.55) | CASRIDO1AGXTL3MBTL1ALDH1A1 | |
| SCHEMBL8610978 | 0.81 | ALDH1A1 (0.57) | CASRL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL19865693 | 0.79 | L3MBTL1 (0.57) | CASRL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL22342333 | 0.79 | CASR (0.71) | CASRL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL12603587 | 0.79 | CASR (0.71) | CASRL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL30865858 | 0.79 | CASR (0.54) | CASRIDO1AGXTL3MBTL1ALDH1A1 | |
| SCHEMBL9781346 | 0.78 | CASR (0.53) | CASRIDO1AGXTL3MBTL1ALDH1A1 | |
| SCHEMBL20502219 | 0.78 | L3MBTL1 (0.56) | CASRIDO1AGXTL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |