Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 13/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30343464 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP1B1HKDC1ALDH1A1POLB | |
| SCHEMBL16481456 | 0.88 | PDK2 (0.41) | CYP1A2CYP1B1HKDC1 | |
| SCHEMBL19980427 | 0.87 | PDK2 (0.43) | CYP1A2CYP1B1HKDC1MEN1LMNA | |
| SCHEMBL19980428 | 0.87 | PDK2 (0.43) | CYP1A2CYP1B1HKDC1MEN1LMNA | |
| SCHEMBL19980422 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP1B1 | |
| SCHEMBL19980421 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP1B1ALDH1A1MEN1LMNA | |
| SCHEMBL19980425 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP1B1ALDH1A1MEN1MAPT | |
| SCHEMBL12280957 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP1B1HKDC1ALDH1A1POLB | |
| SCHEMBL29518317 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP1B1HKDC1ALDH1A1POLB | |
| SCHEMBL19980475 | 0.80 | CRHBP (0.37) | ALDH1A1CRHBPCRHR2KEAP1NFE2L2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3512841-B1 | COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES | MERCK PATENT GMBH (DE) | 2023-04-26 | — | — | EP | disclosed |
| US-20210005820-A1 | Organic Electronic Device, Display and LIghting Devices Comprising the Same | NOVALED GMBH (DE) | 2021-01-07 | — | — | US | disclosed |
| EP-3533793-A1 | ORGANIC ELECTRONIC DEVICE, DISPLAY AND LIGHTING DEVICES COMPRISING THE SAME | Novaled GmbH (DE) | 2019-09-04 | — | — | EP | disclosed |
| WO-2018050584-A1 | COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |