Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9195303 | 0.83 | CYP2A6 (0.36) | CYP2A6PDK2CYP1A2CYP2C19KMT2A | |
| SCHEMBL9545132 | 0.81 | CYP11B2 (0.45) | CYP2A6CYP1A2CYP2C19KMT2ACYP11B2 | |
| SCHEMBL9545168 | 0.79 | PDK2 (0.35) | PDK2CYP1A2CYP2C19KMT2A | |
| SCHEMBL9275393 | 0.78 | PDK2 (0.33) | PDK2CYP1A2CYP2C19KMT2ACYP11B2 | |
| SCHEMBL9545528 | 0.71 | GSK3B (0.38) | PDK2CYP1A2CYP2C19KMT2AGSK3B | |
| SCHEMBL9194471 | 0.70 | GSK3B (0.47) | PDK2CYP1A2CYP2C19KMT2AGSK3B | |
| SCHEMBL9200820 | 0.68 | CYP2A6 (0.40) | CYP2A6CYP1A2CYP2C19KMT2ACYP11B2 | |
| SCHEMBL9545525 | 0.66 | PDK2 (0.32) | PDK2CYP1A2CYP2C19KMT2A | |
| SCHEMBL28197535 | 0.65 | MAP4K4 (0.40) | NPY5RCYP11B2 | |
| SCHEMBL9198802 | 0.65 | NFKB1 (0.45) | PDK2CYP1A2CYP2C19KMT2ANPY5R |
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-0636132-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-02-01 | — | — | EP | disclosed |