Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.51 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.51 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17763698 | 1.00 | MCL1 (0.61) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL17763697 | 1.00 | MCL1 (0.61) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL6729091 | 0.87 | MCL1 (0.53) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL11498666 | 0.87 | MCL1 (0.53) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL6729087 | 0.87 | MCL1 (0.53) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL653442 | 0.79 | MCL1 (0.62) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL17763699 | 0.79 | LMNA (0.49) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL17814240 | 0.79 | LMNA (0.49) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL17763700 | 0.79 | LMNA (0.49) | MCL1ALOX12HPGDALDH1A1GAA | |
| SCHEMBL22306421 | 0.76 | HPGD (0.51) | MCL1ALOX12HPGDALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-9722280-B2 | Acrylonitrile derivatives as additive for electrolytes in lithium ion batteries | BASF SE (DE) | 2017-08-01 | — | — | US | disclosed |
| US-20160164141-A1 | ACRYLONITRILE DERIVATIVES AS ADDITIVE FOR ELECTROLYTES IN LITHIUM ION BATTERIES | BASF SE (DE) | 2016-06-09 | — | — | US | disclosed |