Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9275393 | 0.82 | PDK2 (0.33) | PDK2CYP1A2CYP2C19KMT2AALDH1A1 | |
| SCHEMBL9545132 | 0.80 | CYP11B2 (0.45) | CYP1A2CYP2C19KMT2AALDH1A1LMNA | |
| SCHEMBL9198802 | 0.68 | NFKB1 (0.45) | PDK2CYP1A2CYP2C19KMT2AALDH1A1 | |
| SCHEMBL9199038 | 0.67 | NFKB1 (0.35) | PDK2CYP1A2CYP2C19KMT2ALMNA | |
| SCHEMBL9194471 | 0.67 | GSK3B (0.47) | PDK2CYP1A2CYP2C19KMT2AALDH1A1 | |
| SCHEMBL26204652 | 0.67 | PDK2 (0.38) | PDK2CYP1A2CYP2C19KMT2ALMNA | |
| SCHEMBL11990870 | 0.66 | PDK2 (0.42) | PDK2CYP1A2CYP2C19KMT2AALDH1A1 | |
| SCHEMBL9200820 | 0.65 | CYP2A6 (0.40) | CYP1A2CYP2C19KMT2AALDH1A1LMNA | |
| SCHEMBL9195303 | 0.64 | CYP2A6 (0.36) | PDK2CYP1A2CYP2C19KMT2AGAA | |
| SCHEMBL2133128 | 0.63 | PDK2 (0.46) | PDK2CYP1A2CYP2C19KMT2AALDH1A1 |
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-1993021185-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-28 | — | — | WO | disclosed |