Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenetole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.65 |
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 1,4-Diethoxybenzene SCHEMBL10998185 | 0.88 | NQO1 (0.74) | LTA4HNQO1RELATSHRTDP1 | |
| Phenetole SCHEMBL18492 | 0.88 | — | — | |
| Phenetole SCHEMBL10779391 | 0.88 | LTA4H (0.81) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL499918 | 0.88 | LTA4H (0.81) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL11697934 | 0.86 | LTA4H (0.71) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL14954246 | 0.85 | LTA4H (0.77) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL4014413 | 0.85 | LTA4H (0.77) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL28966428 | 0.85 | LTA4H (0.77) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL28696840 | 0.85 | LTA4H (0.77) | LTA4HNQO1RELAHTR1BHTR1D | |
| Phenetole SCHEMBL3991967 | 0.85 | LTA4H (0.77) | LTA4HNQO1RELATSHRTDP1 |
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-112321572-A | Compound used as blue pressure-sensitive dye and preparation method and application thereof | 河南省科学院高新技术研究中心 | 2021-02-05 | — | — | CN | disclosed |
| US-4237048-A | COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-02 | — | — | US | disclosed |
| US-4105655-A | PHENYL-AZO-ANILINO DYESTUFF | BAYER AKTIENGESELLSCHAFT (DE) | 1978-08-08 | — | — | US | disclosed |
| US-3962209-A | PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | disclosed |