Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865556 | 0.73 | ACHE (0.47) | ACHENOS3NOS2 | |
| SCHEMBL11673865 | 0.72 | DRD1 (0.62) | ALDH1A1CYP1A2MAPK1KMT2AMEN1 | |
| SCHEMBL31326549 | 0.71 | ACHE (0.48) | NOTUMTYMSACHEALDH1A1NOS3 | |
| SCHEMBL20368206 | 0.71 | ACHE (0.48) | NOTUMTYMSACHEALDH1A1NOS3 | |
| SCHEMBL9372008 | 0.71 | ACHE (0.48) | NOTUMTYMSACHEALDH1A1NOS3 | |
| SCHEMBL9367273 | 0.71 | ACHE (0.48) | NOTUMTYMSACHEALDH1A1NOS3 | |
| SCHEMBL181579 | 0.71 | ACHE (0.48) | NOTUMTYMSACHEALDH1A1NOS3 | |
| SCHEMBL11491611 | 0.70 | ACHE (0.53) | PTPRCNOTUMACHEALDH1A1KMT2A | |
| SCHEMBL8349907 | 0.68 | — | — | |
| SCHEMBL14025921 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4024266-A | LUTEINIZING HORMONE INHIBITORS, ANTIDEPRESSANTS | SANDOZ LTD. (CH) | 1977-05-17 | — | — | US | disclosed |