Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | EDNRB | P24530 | 2/20 | 0.33 |
| ▸ | EDNRA | P25101 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18520685 | 0.83 | CCNB2 (0.35) | BRAFTNNI3KKMT2APDE2APDE10A | |
| SCHEMBL18520684 | 0.79 | KMT2A (0.37) | KMT2AGSK3BPDE2APDE10APOLB | |
| SCHEMBL18520727 | 0.73 | PDE2A (0.43) | KMT2APDE2APDE10APOLBGRM2 | |
| SCHEMBL18520513 | 0.64 | ALDH1A1 (0.38) | KMT2APDE2APDE10ACYP1A2CYP3A4 | |
| SCHEMBL8941625 | 0.63 | ELANE (0.37) | KMT2APDE2APDE10AGRM2ESR2 | |
| SCHEMBL18520728 | 0.62 | GRM2 (0.40) | BRAFKMT2AGRM2ESR2 | |
| SCHEMBL18520592 | 0.62 | GRM2 (0.40) | KMT2APTGFRGRM2MAPK1HSD17B10 | |
| SCHEMBL18520288 | 0.62 | ALDH1A1 (0.40) | KMT2APDE2APDE10APOLBPLA2G7 | |
| SCHEMBL18520594 | 0.62 | ALDH1A1 (0.40) | KMT2APDE2APDE10APOLBPLA2G7 | |
| SCHEMBL18520289 | 0.61 | CCNB2 (0.42) | KMT2APDE2APDE10APOLBPLA2G7 |
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-2017027768-A1 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | THE BROAD INSTITUTE, INC. (US) | 2017-02-16 | — | — | WO | disclosed |