Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL31360683 | 0.92 | ALDH1A1 (0.37) | KDM4EALDH1A1TDP1L3MBTL1RXFP1 | |
| SCHEMBL482444 | 0.86 | — | — | |
| SCHEMBL965148 | 0.84 | ALDH1A1 (0.36) | ALDH1A1RXFP1 | |
| SCHEMBL1414863 | 0.81 | KDM4E (0.45) | KDM4EALDH1A1TDP1L3MBTL1CES2 | |
| SCHEMBL3870601 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1TDP1L3MBTL1NPSR1 | |
| SCHEMBL793226 | 0.77 | — | — | |
| SCHEMBL3357183 | 0.77 | TDP1 (0.41) | KDM4EALDH1A1TDP1L3MBTL1ESR1 | |
| SCHEMBL3465282 | 0.77 | ALDH1A1 (0.37) | KDM4EALDH1A1TDP1GSK3B | |
| SCHEMBL621008 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10992749 | 0.76 | TAAR1 (0.40) | KDM4EALDH1A1TDP1L3MBTL1 |
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-2019038362-A1 | ANTIBACTERIAL PYRROLOIMIDAZOLONES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-02-28 | — | — | WO | disclosed |