Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMOX1 | P09601 | 2/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18798867 | 0.91 | CYP2C19 (0.38) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL22474049 | 0.87 | HMOX1 (0.33) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL19831876 | 0.87 | HMOX1 (0.35) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL17518078 | 0.84 | MAPK1 (0.37) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL21385783 | 0.82 | HSD17B10 (0.34) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL17465954 | 0.82 | CYP2C19 (0.36) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL18798865 | 0.81 | HMOX1 (0.35) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL21334037 | 0.81 | RBP4 (0.42) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 | |
| SCHEMBL20952906 | 0.79 | CYP2C19 (0.51) | CYP2C19HSD17B10PARP1HCAR2CREBBP | |
| SCHEMBL24045470 | 0.78 | HMOX1 (0.36) | HMOX1MAPK3MAPK1MAP2K1CYP2C19 |
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 |