Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Valine SCHEMBL10988976 | 1.00 | SLC7A5 (0.94) | — | |
| Valine SCHEMBL5972605 | 1.00 | — | — | |
| Valine SCHEMBL10667241 | 0.97 | SLC7A5 (0.88) | — | |
| Valine SCHEMBL41225 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL1813972 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL288203 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL8515 | 0.97 | — | — | |
| Valine SCHEMBL8516 | 0.97 | — | — | |
| Valine SCHEMBL2785563 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL43678 | 0.97 | — | — |
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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111511739-B | Dihydropyrimidinyl thiazoles for the treatment and prophylaxis of hepatitis b virus infections | 豪夫迈·罗氏有限公司 | 2023-09-15 | — | — | CN | disclosed |
| US-11641858-B2 | Agricultural chemicals | REDAG CROP PROTECTION LTD. (GB) | 2023-05-09 | — | — | US | disclosed |
| CN-115417769-A | Method for synthesizing sex pheromone component of tomato leaf miner and intermediate | 昆明博鸿科技有限公司 | 2022-12-02 | — | — | CN | disclosed |
| US-11447489-B2 | Dihydropyrimidinylthiazole for the treatment and prophylaxis of hepatitis B virus infection | HOFFMANN-LA ROCHE INC. (US) | 2022-09-20 | — | — | US | disclosed |
| CN-114751846-A | Preparation method of valine lipid salt of florfenicol | 武汉科技大学 | 2022-07-15 | — | — | CN | disclosed |
| CN-109071495-B | Agricultural chemicals | 瑞戴格作物保护公司 | 2022-04-19 | — | — | CN | disclosed |
| EP-3732177-B1 | DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2021-11-17 | — | — | EP | disclosed |
| EP-3442961-B1 | AGRICULTURAL CHEMICALS | REDAG CROP PROT LTD (GB) | 2021-03-24 | — | — | EP | disclosed |
| US-20210061801-A1 | DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2021-03-04 | — | — | US | disclosed |
| EP-3732177-A1 | DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2020-11-04 | — | — | EP | disclosed |
| EP-1171452-A2 | PYRROLIDINCARBOLYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-16 | — | — | EP | disclosed |
| US-6265572-B1 | INHIBIT BINDING OF INTEGRIN EXPRESSING CELLS TO CELL ADHESION MOLECULES OF ENDOTHELIUM | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| WO-2000063234-A2 | PYRROLIDINCARBONYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-10-26 | — | — | WO | disclosed |
| US-6083971-A | OCTAHYDRO-PYRROLO(3,4-C)PYRROL-1-YL)-BENZIMIDAMIDE DERIVATIVE AS ANTITHROMBIN AGENT | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |
| US-6020497-A | 3-substitutes isoxazolidines as chiral auxiliary agents | MERCK & CO., INC. (US) | 2000-02-01 | — | — | US | disclosed |
| US-5891900-A | Oxopyrolo-pyrrole derivatives having thrombin inhibiting activity | HOFFMAN-LA ROCHE INC (US) | 1999-04-06 | — | — | US | disclosed |
| WO-1997005114-A1 | QUINOLONE SULFONIMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION | LABORATORIOS MENARINI S.A. (ES) | 1997-02-13 | — | — | WO | disclosed |
| US-4429118-A | Methyl 3-azido-4-C-cyano-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside and processes for its preparation | MERCK & CO., INC. (US) | 1984-01-31 | — | — | US | disclosed |
| US-4348325-A | Methyl 3-azido-4-C-cyano-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside | MERCK & CO., INC. (US) | 1982-09-07 | — | — | US | disclosed |
| US-4264518-A | INTERMEDIATE FOR MAKING INSECT PHEROMONE FOR CONTROLLING SCALE | ZOECON CORPORATION (US) | 1981-04-28 | — | — | US | disclosed |