Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | TNKS | O95271 | 2/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 5/20 | 0.44 |
| ▸ | MMP2 | P08253 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 4/20 | 0.44 |
| ▸ | MMP8 | P22894 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26693457 | 1.00 | PTGES (0.51) | PTGESATMRXFP1TNKSTNKS2 | |
| SCHEMBL280520 | 0.81 | TNKS (0.54) | RXFP1TNKSTNKS2CYP1A1CYP1B1 | |
| SCHEMBL29949328 | 0.76 | MMP13 (0.71) | ATMRXFP1MMP13MMP2MMP9 | |
| SCHEMBL15288339 | 0.76 | MMP13 (0.71) | ATMRXFP1MMP13MMP2MMP9 | |
| SCHEMBL30112662 | 0.76 | TNKS (0.70) | PTGESATMRXFP1TNKSTNKS2 | |
| SCHEMBL3497012 | 0.76 | TNKS (0.70) | PTGESATMRXFP1TNKSTNKS2 | |
| SCHEMBL17973095 | 0.75 | TYMS (0.54) | PTGESMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL16440333 | 0.75 | ERN1 (0.41) | PTGESRXFP1MAPTKDM4EALDH1A1 | |
| SCHEMBL28052830 | 0.73 | NPC1 (0.49) | RXFP1TNKSTNKS2CYP1A1CYP1B1 | |
| SCHEMBL3340103 | 0.73 | ATM (0.63) | PTGESATMRXFP1TNKSTNKS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4281455-A1 | NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2023-11-29 | — | — | EP | disclosed |
| CN-116710454-A | Nitrogen-containing compounds for organic electroluminescent devices | 默克专利有限公司 | 2023-09-05 | — | — | CN | disclosed |
| WO-2022157343-A1 | NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-07-28 | — | — | WO | disclosed |