Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29613650 | 1.00 | NPSR1 (0.82) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29847457 | 0.80 | NPSR1 (0.55) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11034598 | 0.71 | CYP3A4 (0.60) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4654049 | 0.69 | TDP1 (0.72) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19712968 | 0.66 | TDP1 (0.62) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30950617 | 0.65 | NPSR1 (0.80) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30950630 | 0.65 | NPSR1 (0.78) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29847323 | 0.64 | NPSR1 (0.77) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24445728 | 0.64 | NPSR1 (0.77) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9049960 | 0.64 | MAPT (0.64) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 |
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-4000609-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES | Industry Foundation of Chonnam National University (KR) | 2022-05-25 | — | — | EP | disclosed |