Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | PRKCA | P17252 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6559153 | 0.89 | NPSR1 (0.53) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL6560524 | 0.85 | NPSR1 (0.41) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL11297329 | 0.81 | EPHX2 (0.42) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL1361994 | 0.80 | CYP3A4 (0.33) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL8047879 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL1439271 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL6559200 | 0.78 | CYP3A4 (0.39) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL12132675 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL6114854 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL7797311 | 0.77 | MEN1 (0.44) | KMT2AMEN1MAPTNPSR1EPHX2 |
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-1164125-A1 | ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Daicel Chemical Industries, Ltd. (JP) | 2001-12-19 | — | — | EP | disclosed |