Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19001791 | 1.00 | MCL1 (0.35) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL19001939 | 0.97 | CA12 (0.39) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24647501 | 0.94 | CA12 (0.38) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24646767 | 0.93 | CA12 (0.37) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL19011248 | 0.93 | CA12 (0.37) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL19850004 | 0.93 | CA12 (0.37) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24646656 | 0.93 | MCL1 (0.34) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23237476 | 0.93 | CA12 (0.34) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23278373 | 0.93 | CA12 (0.35) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL18371358 | 0.92 | CA12 (0.40) | MCL1ACMSDCA12CA1CA2 |
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-3390365-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |