Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23898793 | 1.00 | TSHR (0.40) | TSHRCYP3A4CYP2C19CNR2CYP2A6 | |
| SCHEMBL25264654 | 1.00 | TSHR (0.40) | TSHRCYP3A4CYP2C19CNR2CYP2A6 | |
| SCHEMBL25184266 | 1.00 | TSHR (0.40) | TSHRCYP3A4CYP2C19CNR2CYP2A6 | |
| SCHEMBL31409963 | 0.77 | PLAU (0.38) | PLAUGPR3POLB | |
| SCHEMBL1590559 | 0.77 | NR4A1 (0.40) | CNR2RAB9ALMNAGPR3KMT2A | |
| SCHEMBL1590558 | 0.77 | NR4A1 (0.40) | CNR2RAB9ALMNAGPR3KMT2A | |
| SCHEMBL1590555 | 0.77 | NR4A1 (0.40) | CNR2RAB9ALMNAGPR3KMT2A | |
| SCHEMBL12702465 | 0.77 | NR4A1 (0.40) | CNR2RAB9ALMNAGPR3KMT2A | |
| SCHEMBL8564181 | 0.76 | CASP3 (0.49) | TSHRCYP3A4CYP2C19CNR2CYP2A6 | |
| SCHEMBL19837744 | 0.75 | NCF1 (0.36) | CYP3A4RAB9ANCF1LMNAGPR3 |
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-4126848-A1 | N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2023-02-08 | — | — | EP | disclosed |