Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL724637 | 0.81 | — | — | |
| SCHEMBL2012393 | 0.79 | TSHR (0.38) | EPHX1CYP2C19CYP1A2TSHRALDH1A1 | |
| SCHEMBL5534731 | 0.78 | — | — | |
| SCHEMBL1480296 | 0.78 | CYP2C19 (0.50) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL15237486 | 0.76 | CYP2C19 (0.54) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL178371 | 0.76 | CYP2C19 (0.54) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL16110120 | 0.74 | CYP1A2 (0.37) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL6916767 | 0.74 | CYP2C19 (0.52) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL6913148 | 0.74 | CYP2C19 (0.52) | CYP2C19CYP1A2TSHRALDH1A1USP2 | |
| SCHEMBL17469494 | 0.74 | — | — |
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-3668504-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019035914-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |