Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | APOB | P04114 | 1/20 | 0.38 |
| ▸ | MTTP | P55157 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29549021 | 0.91 | CYP3A4 (0.46) | BCHEACHEBACE1TEAD1MAPT | |
| SCHEMBL29548635 | 0.90 | ACE (0.45) | NR1H2USP30 | |
| SCHEMBL4388576 | 0.85 | AGTR2 (0.48) | BCHEACHEBACE1NR1H2NR1H3 | |
| SCHEMBL2710355 | 0.83 | DPP4 (0.43) | BCHEACHEBACE1TEAD1MAPT | |
| SCHEMBL29548835 | 0.82 | CYP3A4 (0.46) | MAPTNR1H2CYP3A4USP30 | |
| SCHEMBL29548707 | 0.81 | NR1H2 (0.42) | DRD2NR1H2KDM1A | |
| SCHEMBL18301509 | 0.79 | HSD11B1 (0.40) | MAPTTACR1NR1H2CYP3A4NR1H3 | |
| SCHEMBL29035242 | 0.79 | HSD11B1 (0.40) | MAPTTACR1NR1H2CYP3A4NR1H3 | |
| SCHEMBL18301510 | 0.79 | HSD11B1 (0.40) | MAPTTACR1NR1H2CYP3A4NR1H3 | |
| SCHEMBL13548957 | 0.79 | CARM1 (0.47) | NR1H2CYP3A4NR1H3MAPK1GPR119 |
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-2022087630-A1 | INHIBITORS OF AMINO ACID TRANSPORT | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2022-04-28 | — | — | WO | disclosed |