Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL28826931 | 1.00 | TP53 (0.82) | TP53CALM1RAB9AKDM4ENPC1 | |
| Ethylbenzene SCHEMBL7902673 | 1.00 | TP53 (0.82) | TP53CALM1RAB9AKDM4ENPC1 | |
| Ethylbenzene SCHEMBL1331299 | 0.91 | — | — | |
| Ethylbenzene SCHEMBL11223212 | 0.91 | TP53 (1.00) | TP53CALM1RAB9AKDM4EALDH1A1 | |
| Ethylbenzene SCHEMBL27395806 | 0.91 | TP53 (1.00) | TP53CALM1RAB9AKDM4EALDH1A1 | |
| Ethylbenzene SCHEMBL1330604 | 0.91 | — | — | |
| Ethylbenzene SCHEMBL3987542 | 0.91 | TP53 (1.00) | TP53CALM1RAB9AKDM4EALDH1A1 | |
| Ethylbenzene SCHEMBL1332452 | 0.91 | — | — | |
| Ethylbenzene SCHEMBL7458207 | 0.91 | TP53 (1.00) | TP53CALM1RAB9AKDM4EALDH1A1 | |
| Ethylbenzene SCHEMBL27454352 | 0.91 | TP53 (1.00) | TP53CALM1RAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4459186-A | Electrochemical oxidation of alkyl aromatic compounds | UOP INC. (US) | 1984-07-10 | — | — | US | disclosed |
| US-4212711-A | Electrochemical oxidation of alkyl aromatic compounds | UOP INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4212710-A | Electrochemical oxidation of alkyl aromatic compounds | UOP INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4148696-A | Electrochemical oxidation of activated alkyl aromatic compounds | UOP INC. (US) | 1979-04-10 | — | — | US | disclosed |