Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CPA1 | P15085 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL10013098 | 0.91 | TSHR (0.67) | TSHRCES2CES1LTA4HCPA1 | |
| Benzyl Alcohol SCHEMBL21174678 | 0.85 | TSHR (0.58) | TSHRCES2CES1LTA4HCPA1 | |
| Nitrobenzene SCHEMBL28305249 | 0.85 | ALDH1A1 (0.67) | TSHRCES2CES1ALDH1A1LMNA | |
| Nitric Acid SCHEMBL3069415 | 0.84 | ENPP2 (0.47) | TSHRALDH1A1LMNA | |
| Benzyl Alcohol SCHEMBL9453895 | 0.83 | TSHR (0.56) | TSHRCES2CES1LTA4HCPA1 | |
| Phenylethyl Alcohol SCHEMBL9874433 | 0.82 | TDP1 (0.70) | TSHRCES2CES1CPA1ALDH1A1 | |
| Benzyl Alcohol SCHEMBL11353823 | 0.82 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL433990 | 0.82 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL9066990 | 0.82 | TSHR (1.00) | TSHRCES2CES1LTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL147 | 0.82 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000051978-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE | NITROMED, INC. (US) | 2000-09-08 | — | — | WO | claimed |
| US-7772278-B2 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | NITROMED, INC. (US) | 2010-08-10 | — | — | US | disclosed |
| US-20090088366-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-04-02 | — | — | US | disclosed |
| US-7449595-B2 | for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions | NITROMED, INC. (US) | 2008-11-11 | — | — | US | disclosed |
| US-20070112067-A1 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | NITROMED, INC. (US) | 2007-05-17 | — | — | US | disclosed |
| US-7176238-B1 | Nitrostated and nitrosylated prostaglandins, compositions and methods of use | NITROMED INC. (US) | 2007-02-13 | — | — | US | disclosed |
| WO-2000051978-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE | NITROMED, INC. (US) | 2000-09-08 | — | — | 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 (2 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-20090088366-A1 | NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE | PTGIS, PGF, PTGS1 | TSHR 1884/4885CES2 3948/4885CES1 817/4885 |
| US-20070112067-A1 | Nitrosated and nitrosylated prostaglandins, compositions and methods of use | PTGIS, PGF, PTGS1 | TSHR 1884/4885CES2 3948/4885CES1 817/4885 |
“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.