Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3369606 | 0.89 | NPY5R (0.42) | NPY5RMAOBALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL29166040 | 0.88 | NPY5R (0.45) | NPY5RMAOBALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL29166073 | 0.88 | NPY5R (0.45) | NPY5RMAOBALDH1A1CYP3A4CYP19A1 | |
| Lithium Ion SCHEMBL30476771 | 0.86 | NPY5R (0.41) | NPY5RMAOBALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL30476772 | 0.83 | KMT2A (0.45) | ALDH1A1CYP3A4LMNAHTT | |
| SCHEMBL9763578 | 0.78 | GAA (0.43) | ALDH1A1ITGA4POLBLMNAHTT | |
| SCHEMBL30476761 | 0.76 | HDAC6 (0.48) | MAOBALDH1A1TSHRLMNA | |
| SCHEMBL5570673 | 0.76 | CYP3A4 (0.45) | NPY5RALDH1A1CYP3A4CYP19A1ESR1 | |
| SCHEMBL22457646 | 0.75 | ABCB1 (0.62) | ALDH1A1ABCB1MAPK1HTT | |
| SCHEMBL1311414 | 0.75 | ALDH1A1 (0.47) | NPY5RALDH1A1CYP3A4MAPK1POLB |
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-4164690-A1 | SMALL MOLECULE VE-PTP INHIBITORS | Ripka, Amy (US) | 2023-04-19 | — | — | EP | disclosed |