Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10296082 | 0.98 | CYP1A2 (0.51) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL10051189 | 0.95 | CYP1A2 (0.49) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL26750958 | 0.95 | CYP1A2 (0.49) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL13170797 | 0.93 | CA1 (0.46) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL13170784 | 0.91 | CYP1A2 (0.47) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL26750844 | 0.90 | CYP1A2 (0.46) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL13251153 | 0.87 | MCL1 (0.45) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL24065748 | 0.87 | CYP1A2 (0.42) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL24065771 | 0.87 | ALDH1A1 (0.43) | CA1CA2CA12CA9CYP1A2 | |
| SCHEMBL4405409 | 0.86 | CA1 (0.42) | CA1CA2CA12CA9CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108178737-B | 4 '- (4-bromonaphthalene-1-yl) [1, 1' -biphenyl ] -4-nitrile and synthesis method thereof | 河南省科学院化学研究所有限公司 | 2020-06-19 | — | — | CN | claimed |
| WO-2020166630-A1 | COMPOUND HAVING BENZAZOLE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE | 保土谷化学工業株式会社 | 2020-08-20 | — | — | WO | disclosed |
| CN-108178737-B | 4 '- (4-bromonaphthalene-1-yl) [1, 1' -biphenyl ] -4-nitrile and synthesis method thereof | 河南省科学院化学研究所有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-108178737-B | 4 '- (4-bromonaphthalene-1-yl) [1, 1' -biphenyl ] -4-nitrile and synthesis method thereof | 河南省科学院化学研究所有限公司 | 2020-06-19 | — | — | CN | disclosed |