Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | CTSA | P10619 | 3/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16896954 | 0.82 | AKR1C3 (0.42) | ALDH1A1MAPTKMT2AAKR1C3AKR1C2 | |
| SCHEMBL20357624 | 0.80 | BRD4 (0.46) | ALDH1A1KDM4EBRD4BRD2BRD3 | |
| SCHEMBL20357577 | 0.74 | BRD4 (0.43) | BRD4BRD2BRD3 | |
| SCHEMBL20357634 | 0.70 | BRD4 (0.40) | ALDH1A1KMT2ABRD4BRD2BRD3 | |
| SCHEMBL20357585 | 0.70 | BRD4 (0.47) | ALDH1A1MAPTKMT2ABRD4BRD2 | |
| SCHEMBL15815926 | 0.70 | BRD4 (0.51) | ALDH1A1MAPTKMT2ALMNAFFAR2 | |
| SCHEMBL20357588 | 0.69 | BRD4 (0.44) | BRD4CTSABRD2BRD3 | |
| SCHEMBL20357625 | 0.69 | BRD4 (0.47) | ALDH1A1MAPTBRD4HTTBRD2 | |
| SCHEMBL20357610 | 0.69 | BRD4 (0.43) | BRD4BRD2BRD3 | |
| SCHEMBL20357593 | 0.68 | CREBBP (0.51) | ALDH1A1LMNABRD4BRD2BRD3 |
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-3092227-B1 | BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORP (FI) | 2018-07-11 | — | — | EP | claimed |