Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16758742 | 1.00 | HSD11B1 (0.47) | HSD11B1DRD3KDM4EALDH1A1TDP1 | |
| SCHEMBL3052320 | 0.89 | HSD11B1 (0.55) | HSD11B1DRD3KDM4ETDP1KMT2A | |
| SCHEMBL6134835 | 0.86 | ALDH1A1 (0.44) | HSD11B1KDM4EALDH1A1TDP1MEN1 | |
| SCHEMBL15435923 | 0.84 | NAMPT (0.43) | DRD3KDM4EALDH1A1TDP1MEN1 | |
| SCHEMBL12651711 | 0.83 | DRD3 (0.56) | HSD11B1DRD3KDM4EALDH1A1TDP1 | |
| SCHEMBL5487629 | 0.83 | KDM4E (0.43) | HSD11B1KDM4EALDH1A1DRD2 | |
| SCHEMBL8562841 | 0.83 | HSD11B1 (0.40) | HSD11B1KDM4EALDH1A1TDP1MEN1 | |
| SCHEMBL21855434 | 0.83 | SIGMAR1 (0.39) | KDM4EALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL3553321 | 0.82 | NAMPT (0.44) | DRD3KDM4EALDH1A1TDP1MEN1 | |
| SCHEMBL15435928 | 0.81 | MEN1 (0.51) | KDM4EALDH1A1TDP1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668502-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019035927-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |