Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL6207218 | 0.87 | TP53 (0.78) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL7922485 | 0.85 | TP53 (0.82) | TP53TAAR1LOXL2SMN1; SMN2TSHR | |
| Ethylbenzene SCHEMBL2713289 | 0.85 | TP53 (0.82) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL8140169 | 0.85 | TP53 (0.82) | TP53TAAR1LOXL2HTR2ASMN1; SMN2 | |
| Ethylbenzene SCHEMBL216251 | 0.84 | TP53 (0.93) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL28009971 | 0.84 | TP53 (0.93) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL9474534 | 0.84 | TP53 (0.93) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL28056495 | 0.84 | TP53 (0.93) | TP53SMN1; SMN2CYP2A6TDP1TSHR | |
| Ethylbenzene SCHEMBL3739571 | 0.82 | TP53 (0.78) | TP53TAAR1LOXL2HTR2ASMN1; SMN2 | |
| Ethylbenzene SCHEMBL1312847 | 0.82 | TP53 (0.88) | TP53TAAR1LOXL2HTR2ASMN1; SMN2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534291-B1 | 2-(PHENYLTHIOMETHYL)- MORPHOLINE DERIVATIVES FOR USE AS SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS | LILLY CO ELI (US) | 2008-11-12 | — | — | EP | disclosed |
| US-7384941-B2 | 2-(phenoxymethyl)-and 2-(phenylthiomethyl)-morpholine derivatives for use as selective norepinephrine reuptake inhibitors | ELI LILLY AND COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-20070105960-A1 | Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors | ELI LILLY AND COMPANY (US) | 2007-05-10 | — | — | US | disclosed |
| US-20070032554-A1 | Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors | ELILILLY AND COMPANY A CORPORATION | 2007-02-08 | — | — | US | disclosed |
| US-20070015786-A1 | Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition | ELI LILY AND COMPANY (US) | 2007-01-18 | — | — | US | disclosed |
| EP-1729754-A2 | SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION | ELI LILLY AND COMPANY (US) | 2006-12-13 | — | — | EP | disclosed |
| US-20060241188-A1 | Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors | ELILILLY AND COMPANY (US) | 2006-10-26 | — | — | US | disclosed |
| EP-1660185-A2 | TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-05-31 | — | — | EP | disclosed |
| US-20060035894-A1 | Morpholine derivatives | ELI LILLY AND COMPANY | 2006-02-16 | — | — | US | disclosed |
| WO-2005060949-A2 | SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION | ELI LILLY AND COMPANY (US) | 2005-07-07 | — | — | WO | disclosed |
| WO-2005021095-A2 | TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |
| WO-2004103356-A2 | TREATMENT OF EMOTIONAL DYSREGULATION | ELI LILLY AND COMPANY (US) | 2004-12-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060241188-A1 | Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors | SLC6A2, SLC6A3, SLC6A4 | TP53 4850/4885TAAR1 48/4885LOXL2 1781/4885 |
| US-20070105960-A1 | Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors | SLC6A2, SLC6A3, SLC6A4 | TP53 4779/4885TAAR1 114/4885LOXL2 141/4885 |
| US-20070032554-A1 | Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors | SLC6A2, SLC6A4, SLC6A3 | TP53 1669/4885TAAR1 41/4885LOXL2 1251/4885 |
| US-20060035894-A1 | Morpholine derivatives | ADRA2C, ADRB3, ADRB1 | TP53 4702/4885TAAR1 45/4885LOXL2 2441/4885 |
| US-20070015786-A1 | Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition | SLC6A2, SLC6A4, HTR5A | TP53 4699/4885TAAR1 152/4885LOXL2 3809/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.