Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001691 | 0.91 | ESR1 (0.54) | L3MBTL1TSHRTDP1MAPTPOLB | |
| SCHEMBL25288536 | 0.86 | PARP1 (0.46) | PARP1L3MBTL1TSHRTDP1MAPT | |
| SCHEMBL30505611 | 0.85 | PARP1 (0.44) | PARP1L3MBTL1TSHRTDP1MAPT | |
| SCHEMBL15347816 | 0.85 | PARP1 (0.44) | PARP1L3MBTL1TSHRTDP1MAPT | |
| SCHEMBL17292716 | 0.83 | PARP1 (0.46) | PARP1TSHRMAPTESR1ESR2 | |
| SCHEMBL28790247 | 0.83 | PARP1 (0.64) | PARP1TSHRTDP1CYP3A4CYP2C19 | |
| SCHEMBL5076006 | 0.83 | POLB (0.58) | PARP1L3MBTL1TSHRTDP1MAPT | |
| SCHEMBL18063674 | 0.83 | PARP1 (0.55) | PARP1L3MBTL1TSHRTDP1MAPT | |
| SCHEMBL9001706 | 0.82 | NPSR1 (0.58) | L3MBTL1TDP1MAPTPOLBESR1 | |
| SCHEMBL2129928 | 0.81 | PBRM1 (0.58) | L3MBTL1MAPTPOLBHSD17B10ESR1 |
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-3888147-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2021-10-06 | — | — | EP | disclosed |
| CN-113169274-A | Compounds for electronic devices | 默克专利有限公司 | 2021-07-23 | — | — | CN | disclosed |