Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.50 |
| ▸ | SORD | Q00796 | 7/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL28059125 | 0.83 | ACHE (0.46) | ACHESORD | |
| SCHEMBL16815392 | 0.82 | PIK3CA (0.51) | ACHESORDPIK3CAPIK3R1MTOR | |
| SCHEMBL20746289 | 0.81 | PIK3CA (0.50) | ACHESORDPIK3CAPIK3R1MTOR | |
| SCHEMBL20745038 | 0.81 | PIK3CA (0.50) | ACHESORDPIK3CAPIK3R1MTOR | |
| SCHEMBL16815333 | 0.81 | ACHE (0.50) | ACHESORD | |
| SCHEMBL20746494 | 0.78 | TRPV3 (0.42) | SORDNR1H2AOC3ACACB | |
| SCHEMBL28465327 | 0.78 | SORD (0.41) | ACHESORDPIK3CANR1H2AOC3 | |
| SCHEMBL20745663 | 0.78 | SORD (0.41) | SORDPIK3CAMTORPTPN11NR1H2 | |
| SCHEMBL22262291 | 0.78 | ACHE (0.52) | ACHESORDNR1H2AOC3 | |
| SCHEMBL11314201 | 0.78 | ACHE (0.50) | ACHEPTPN11 |
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 |