Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL31553421 | 0.83 | SLC18A2 (0.33) | LMNAPOLBALDH1A1CYP3A4TP53 | |
| SCHEMBL21754987 | 0.78 | PIK3CD (0.37) | — | |
| SCHEMBL20281210 | 0.78 | PDK1 (0.37) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL30237125 | 0.77 | PDK1 (0.36) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL30452247 | 0.77 | PDK1 (0.36) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL31302786 | 0.77 | PDK1 (0.36) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL8783870 | 0.76 | CYP3A4 (0.37) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL8783865 | 0.76 | CYP3A4 (0.37) | PDK1LMNAPOLBALDH1A1CYP3A4 | |
| SCHEMBL21163341 | 0.76 | — | — | |
| SCHEMBL29014344 | 0.75 | TSHR (0.38) | PDK1LMNAPOLBALDH1A1CYP3A4 |
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-2018013783-A1 | PHARMACEUTICAL PRODRUGS AND METHODS OF THEIR PREPARATION AND USE | CEPHALON, INC. (US) | 2018-01-18 | — | — | WO | disclosed |