Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25252825 | 0.95 | HTR2C (0.53) | CYP19A1HTR2CHTR2BHDAC4KMT2A | |
| SCHEMBL30700167 | 0.81 | CYP19A1 (0.54) | CYP19A1HTR2CHTR2BHDAC4KMT2A | |
| SCHEMBL25261134 | 0.80 | L3MBTL1 (0.52) | HTR2CHTR2BKMT2AGBA1MMP1 | |
| SCHEMBL19011425 | 0.77 | ALDH1A1 (0.64) | HTR2CHTR2BKMT2AGBA1ALDH1A1 | |
| SCHEMBL16825749 | 0.77 | HTR2C (0.57) | CYP19A1HTR2CHTR2BKMT2AGBA1 | |
| SCHEMBL14837537 | 0.77 | HTR2C (0.57) | CYP19A1HTR2CHTR2BKMT2AGBA1 | |
| SCHEMBL13543087 | 0.77 | GBA1 (0.78) | HTR2CHTR2BKMT2AGBA1ALDH1A1 | |
| SCHEMBL5028418 | 0.76 | KMT2A (0.70) | CYP19A1KMT2AGBA1MMP1ALDH1A1 | |
| SCHEMBL5028416 | 0.76 | KMT2A (0.70) | CYP19A1KMT2AGBA1MMP1ALDH1A1 | |
| SCHEMBL23052526 | 0.75 | DRD2 (0.47) | HTR2CHTR2BHDAC4KMT2AGBA1 |
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-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |