Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.37 |
| ▸ | NPC1 | O15118 | 8/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30950742 | 1.00 | RAB9A (0.37) | RAB9ANPC1POLBKMT2AMEN1 | |
| SCHEMBL9635001 | 0.81 | CYP1A2 (0.47) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7004442 | 0.76 | PARP1 (0.42) | RAB9ANPC1POLBKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7001774 | 0.74 | PARP1 (0.45) | RAB9ANPC1POLBKMT2AMEN1 | |
| SCHEMBL24493269 | 0.74 | EGFR (0.30) | — | |
| SCHEMBL28849571 | 0.74 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL30809642 | 0.73 | ALDH1A1 (0.48) | POLBKMT2AMEN1GAATP53 | |
| SCHEMBL484995 | 0.73 | ALDH1A1 (0.48) | POLBKMT2AMEN1GAATP53 | |
| SCHEMBL28062192 | 0.72 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL23100767 | 0.71 | RAB9A (0.52) | RAB9ANPC1KMT2AMAPTALDH1A1 |
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-2339919-A1 | BICYCLIC DIHYDROIMIDAZOLONE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-07-06 | — | — | EP | disclosed |