Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 13/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GALK1 | P51570 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19980428 | 1.00 | PDK2 (0.43) | PDK2CYP1A2CYP1B1MEN1APAF1 | |
| SCHEMBL19980414 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP1B1MEN1NPC1LMNA | |
| SCHEMBL30343464 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP1B1MEN1NPC1LMNA | |
| SCHEMBL16481456 | 0.82 | PDK2 (0.41) | PDK2CYP1A2CYP1B1HKDC1 | |
| SCHEMBL13013424 | 0.81 | TDP2 (0.49) | PDK2TDP2 | |
| SCHEMBL4321761 | 0.81 | PDK2 (0.59) | PDK2MEN1APAF1NPC1LMNA | |
| SCHEMBL25685038 | 0.81 | PDK2 (0.59) | PDK2MEN1APAF1NPC1LMNA | |
| SCHEMBL5859559 | 0.81 | PDK2 (0.59) | PDK2MEN1APAF1NPC1LMNA | |
| SCHEMBL5859662 | 0.81 | PDK2 (0.59) | PDK2MEN1APAF1NPC1LMNA | |
| SCHEMBL15477927 | 0.79 | TDP2 (0.47) | PDK2NPC1RAB9ASMN1; SMN2TDP2 |
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 2 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 |
| WO-2018050584-A1 | COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |