Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL7195210 | 0.90 | TSHR (0.45) | TSHRALDH1A1TDP1 | |
| Methyl Alcohol SCHEMBL1172803 | 0.90 | TSHR (0.50) | TSHRALDH1A1TDP1 | |
| SCHEMBL30636 | 0.89 | TSHR (0.56) | TSHRALDH1A1TDP1 | |
| Cesium SCHEMBL7632120 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| SCHEMBL22233969 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| SCHEMBL333058 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| Ethane SCHEMBL872203 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| Water SCHEMBL22581155 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| SCHEMBL9619269 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 | |
| Rubidium SCHEMBL7623316 | 0.86 | TSHR (0.53) | TSHRALDH1A1TDP1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009053697-A1 | POLYMORPHIC FORMS OF ( S ) -ROTIGOTINE HYDROCHLORIDE | PLIVA HRVATSKA D.O.O. (HR) | 2009-04-30 | — | — | WO | claimed |
| US-20210363300-A1 | STARTING MATERIAL FOR BULK DRUG OR ADDITIVES FOR DRUG, AND BULK DRUG OR DRUG USING SAME | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2021-11-25 | — | — | US | disclosed |
| EP-3733208-A1 | STARTING MATERIAL FOR BULK DRUG OR ADDITIVES FOR DRUG, AND BULK DRUG OR DRUG USING SAME | Sanyo Chemical Industries, Ltd. (JP) | 2020-11-04 | — | — | EP | disclosed |
| EP-3250291-B1 | CRYSTALLINE C21H22C12N4O2 MALONATE | BIOMED VALLEY DISCOVERIES INC (US) | 2020-08-26 | — | — | EP | disclosed |
| US-9951041-B2 | Crystalline C21H22Cl2N4O2 malonate | BIOMED VALLEY DISCOVERIES, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| EP-3250291-A1 | CRYSTALLINE C21H22C12N4O2 MALONATE | Biomed Valley Discoveries, Inc. (US) | 2017-12-06 | — | — | EP | disclosed |
| US-20170320850-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | ALBANY MOLECULAR RESEARCH, INC. | 2017-11-09 | — | — | US | disclosed |
| EP-2975035-B1 | SALT OF PYRROLIDIN-3-YL ACETIC ACID DERIVATIVE AND CRYSTALS THEREOF | EISAI R&D MAN CO LTD (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-9670177-B2 | Crystalline C21H22Cl2N4O2 malonate | BIOMED VALLEY DISCOVERIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-9550732-B2 | Salt of pyrrolidin-3-yl acetic acid derivative and crystals thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-01-24 | — | — | US | disclosed |
| EP-2975035-A1 | SALT OF PYRROLIDIN-3-YL ACETIC ACID DERIVATIVE AND CRYSTALS THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20160002165-A1 | SALT OF PYRROLIDIN-3-YL ACETIC ACID DERIVATIVE AND CRYSTALS THEREOF | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2016-01-07 | — | — | US | disclosed |
| US-20100076225-A1 | Polymorphs of atomoxetine hydrochloride | ARONHIME JUDITH | 2010-03-25 | — | — | US | disclosed |
| WO-2009053697-A1 | POLYMORPHIC FORMS OF ( S ) -ROTIGOTINE HYDROCHLORIDE | PLIVA HRVATSKA D.O.O. (HR) | 2009-04-30 | — | — | WO | disclosed |
| US-7473804-B2 | Polymorphs of atomoxetine hydrochloride | TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) | 2009-01-06 | — | — | US | disclosed |
| US-20080312471-A1 | Polymorphs of atomoxetine hydrochloride | ARONHIME JUDITH | 2008-12-18 | — | — | US | disclosed |
| EP-1768949-A2 | POLYMORPHS OF ATOMOXETIENE HYDROCHLORIDE | Teva Pharmaceutical Fine Chemicals S.R.L. (IT) | 2007-04-04 | — | — | EP | disclosed |
| US-20060079581-A1 | Polymorphs of atomoxetine hydrochloride | TEVA PHARMACEUTICALS USA, INC. | 2006-04-13 | — | — | US | disclosed |
| WO-2006020348-A2 | POLYMORPHS OF ATOMOXETINE HYDROCHLORIDE | TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) | 2006-02-23 | — | — | WO | disclosed |
| US-5434159-A | Neurodegenerative disorders | STERLING WINTHROP INC. (US) | 1995-07-18 | — | — | US | 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-20100076225-A1 | Polymorphs of atomoxetine hydrochloride | SLC6A2, SLC6A4, HTR5A | TSHR 2499/4885ALDH1A1 851/4885TDP1 402/4885 |
| US-20160002165-A1 | SALT OF PYRROLIDIN-3-YL ACETIC ACID DERIVATIVE AND CRYSTALS THEREOF | ACP3, PKD1, ACMSD | TSHR 3670/4885ALDH1A1 167/4885TDP1 3417/4885 |
| US-20080312471-A1 | Polymorphs of atomoxetine hydrochloride | SLC6A2, SLC6A4, HTR5A | TSHR 2499/4885ALDH1A1 851/4885TDP1 402/4885 |
| US-20060079581-A1 | Polymorphs of atomoxetine hydrochloride | SLC6A2, SLC6A4, HTR5A | TSHR 2499/4885ALDH1A1 851/4885TDP1 402/4885 |
| US-20170320850-A1 | CRYSTALLINE C21H22Cl2N4O2 MALONATE | MAL2, ME1, SLC22A11 | TSHR 4528/4885ALDH1A1 881/4885TDP1 4837/4885 |
“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.