Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | GLP1R | P43220 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL20765464 | 1.00 | GRIN1 (0.41) | GRIN1GRIN2BALDH1A1RAB9ANPSR1 | |
| SCHEMBL20765671 | 0.84 | ALDH1A1 (0.51) | GRIN1GRIN2BALDH1A1RAB9ANPSR1 | |
| SCHEMBL20765530 | 0.83 | FGFR1 (0.44) | CHEK2 | |
| SCHEMBL20765533 | 0.83 | FGFR1 (0.44) | CHEK2 | |
| SCHEMBL20765519 | 0.83 | MEN1 (0.38) | GRIN1GRIN2BALDH1A1 | |
| SCHEMBL20765521 | 0.83 | MEN1 (0.38) | GRIN1GRIN2BALDH1A1 | |
| SCHEMBL20765545 | 0.81 | ALDH1A1 (0.40) | ALDH1A1NPSR1HTTMAPK1 | |
| SCHEMBL20765548 | 0.81 | ALDH1A1 (0.40) | ALDH1A1NPSR1HTTMAPK1 | |
| SCHEMBL20766545 | 0.80 | PKM (0.42) | ALDH1A1NPSR1HTTMAPK1 | |
| SCHEMBL20766547 | 0.80 | PKM (0.42) | ALDH1A1NPSR1HTTMAPK1 |
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-2019038683-A1 | COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) | 2019-02-28 | — | — | WO | claimed |