Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 4/20 | 0.34 |
| ▸ | PTGFR | P43088 | 2/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL18520709 | 0.81 | GRM2 (0.42) | GRM2BRD4DHODHPTGFRADORA2A | |
| SCHEMBL18520432 | 0.81 | GRM2 (0.42) | GRM2BRD4DHODHPTGFRADORA2A | |
| SCHEMBL18520517 | 0.78 | GRM2 (0.40) | GRM2DHODHADORA2AADORA1 | |
| SCHEMBL21100959 | 0.78 | GRM2 (0.50) | GRM2BRD4ADORA2AADORA1 | |
| SCHEMBL18520431 | 0.76 | CDK9 (0.41) | GRM2BRD4DHODH | |
| SCHEMBL18520608 | 0.76 | GRM2 (0.34) | GRM2BRD4DHODH | |
| SCHEMBL18520542 | 0.76 | KDM4E (0.39) | GRM2HCRTR1HCRTR2DHODHADORA2A | |
| SCHEMBL18520544 | 0.76 | GRM2 (0.38) | GRM2DHODHADORA2AADORA1 | |
| SCHEMBL18520754 | 0.76 | CYP1A2 (0.42) | GRM2DHODHADORA2AADORA1 | |
| SCHEMBL18520609 | 0.75 | DHODH (0.33) | GRM2BRD4HCRTR1HCRTR2DHODH |
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 |