Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232702 | 0.81 | ADORA2A (0.62) | ADORA2AADORA2BESR1RBP4KDM4E | |
| SCHEMBL24045599 | 0.80 | ADORA2A (0.43) | ADORA2AADORA2BESR1RBP4KDM4E | |
| SCHEMBL17229778 | 0.78 | ADORA2A (0.41) | ADORA2AADORA2BESR1RBP4KDM4E | |
| SCHEMBL17232744 | 0.71 | ADORA2A (0.62) | ADORA2AADORA2BKDM4EMAPTMAPK1 | |
| SCHEMBL21334032 | 0.70 | KDM4E (0.41) | ADORA2AADORA2BESR1KDM4EMAPT | |
| SCHEMBL31052439 | 0.70 | MAPT (0.41) | ADORA2AADORA2BESR1KDM4EMAPT | |
| SCHEMBL15832959 | 0.70 | KDM4E (0.41) | ADORA2AADORA2BESR1KDM4EMAPT | |
| SCHEMBL16682174 | 0.69 | ADORA2A (0.65) | ADORA2AADORA2BESR1ATMDRD2 | |
| SCHEMBL22958099 | 0.68 | MAPT (0.40) | ADORA2AADORA2BESR1KDM4EMAPT | |
| SCHEMBL20371659 | 0.68 | MAPT (0.40) | ADORA2AADORA2BRBP4KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |