Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL27630895 | 0.84 | LTA4H (0.42) | LTA4HSMN1; SMN2 | |
| Phenylacetylene SCHEMBL27820603 | 0.82 | LTA4H (0.42) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| Benzonitrile SCHEMBL28327387 | 0.81 | TSHR (0.52) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| Phenylacetylene SCHEMBL27820593 | 0.80 | TSHR (0.43) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| Hexyl Formate SCHEMBL27820594 | 0.80 | TSHR (0.43) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| Heptyl Formate SCHEMBL27820611 | 0.80 | TSHR (0.43) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| Phenylacetylene SCHEMBL28258539 | 0.78 | KDM4E (0.39) | LTA4HTSHRTP53ALDH1A1KCNH2 | |
| Biphenyl SCHEMBL3197075 | 0.78 | LTA4H (0.52) | LTA4HTSHRCYP3A4MAPK1TP53 | |
| SCHEMBL949228 | 0.77 | NR5A1 (0.58) | LTA4HTSHRTP53ALDH1A1HPGD | |
| Phenylacetylene SCHEMBL1983361 | 0.77 | DRD2 (0.40) | LTA4HTSHRCYP3A4ALDH1A1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104479771-B | Suppress the composition that boiler alcohol-group fuel nitrogen oxide generates | SHANXI HUADUN INDUSTRY CO., LTD. (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-104479771-A | Composition for inhibiting alcohol-based fuel for boilers from producing nitrogen oxides | SHANXI WHARTON IND CO LTD | 2015-04-01 | — | — | CN | claimed |
| CN-107118168-B | A kind of copper catalyzes and synthesizes Trifluoromethyl-1, the method for 2,4- triazineon compounds | 福州大学 | 2019-10-15 | — | — | CN | disclosed |
| CN-104479771-B | Suppress the composition that boiler alcohol-group fuel nitrogen oxide generates | SHANXI HUADUN INDUSTRY CO., LTD. (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-104479771-B | Suppress the composition that boiler alcohol-group fuel nitrogen oxide generates | SHANXI HUADUN INDUSTRY CO., LTD. (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-104479771-A | Composition for inhibiting alcohol-based fuel for boilers from producing nitrogen oxides | SHANXI WHARTON IND CO LTD | 2015-04-01 | — | — | CN | disclosed |