Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14073390 | 0.93 | PDK2 (0.44) | PDK2LTA4HRARBRARGRXRA | |
| SCHEMBL20036916 | 0.87 | PDK2 (0.41) | PDK2LTA4HRARBRARGRXRA | |
| SCHEMBL1637360 | 0.79 | ALDH1A1 (0.53) | PDK2RARBRARGRXRARXRB | |
| SCHEMBL14073395 | 0.77 | SRD5A2 (0.50) | PDK2RARBRARGRXRARXRB | |
| SCHEMBL569046 | 0.76 | LTA4H (0.59) | LTA4HNPC1RAB9AALDH1A1TP53 | |
| SCHEMBL13045515 | 0.76 | PDK2 (0.52) | PDK2RARBRARGRXRARXRB | |
| SCHEMBL14073419 | 0.75 | SIRT1 (0.54) | PDK2RARBRARGRXRARXRB | |
| SCHEMBL16419700 | 0.73 | SRD5A2 (0.45) | PDK2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL14073311 | 0.72 | PDK2 (0.49) | PDK2RARBRARGRXRARXRB | |
| SCHEMBL14073388 | 0.72 | CNR2 (0.50) | PDK2NPC1HPGDSMN1; SMN2LMNA |
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-1883688-B1 | COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-04-11 | — | — | EP | disclosed |