Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28177904 | 1.00 | KDM4E (0.42) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL20518637 | 0.83 | KDM4E (0.45) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL2585276 | 0.83 | KDM4E (0.45) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL27673215 | 0.82 | KDM4E (0.41) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL4171040 | 0.82 | KDM4E (0.41) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| Hydrochloric Acid SCHEMBL27966647 | 0.82 | KDM4E (0.44) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| Bromide SCHEMBL28354965 | 0.82 | KDM4E (0.44) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL28243284 | 0.79 | CYP19A1 (0.40) | KDM4ECYP19A1TBXA2RCYP17A1CYP26A1 | |
| SCHEMBL10576923 | 0.79 | KMT2A (0.50) | KDM4ECYP19A1TBXA2RKMT2ACYP17A1 | |
| SCHEMBL27553812 | 0.79 | CYP26A1 (0.50) | KDM4ECYP19A1TBXA2RKMT2ACYP26A1 |
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-2776409-B1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS | ENSEMBLE THERAPEUTICS CORP (US) | 2016-02-03 | — | — | EP | disclosed |