Valine

Valine

SCHEMBL161003

CC(C)[C@H](N)C(=O)O.CCO

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.79
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 3/20 0.43
USP2 O75604 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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.

Compoundsimilaritytop predictedshared targets
Valine SCHEMBL3967257 1.00 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL9596645 0.91 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL30099875 0.90 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL10351713 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL11876966 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL15656624 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL10718697 0.89 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL1813972 0.89 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1USP2
Valine SCHEMBL8516 0.89
Valine SCHEMBL41225 0.89 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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 551 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118207574-A Nanometer flower spherical foam nickel-supported Pd catalyst and preparation method and application thereof 德清县浙工大莫干山研究院 2024-06-18 CN claimed
CN-117783260-A Method for detecting chelation rate of polypeptide copper chelate 南京金斯瑞生物科技有限公司 2024-03-29 CN claimed
CN-117747004-A Lignin co-production life cycle evaluation method based on bioethanol production by straw 常州大学 2024-03-22 CN claimed
CN-115536505-B Copper-catalyzed regioselective iodination of terminal alkynes to (E) -beta-iodo-alpha, beta-unsaturated aldehydes 湖南大学 2023-10-24 CN claimed
CN-114841243-B Cross-modal retrieval model training method, cross-modal retrieval method, device and medium 中国科学院上海高等研究院 2023-04-07 CN claimed
CN-115536505-A Copper-catalyzed regioselective iodination of terminal alkynes to (E) -beta-iodo-alpha, beta-unsaturated aldehydes 湖南大学 2022-12-30 CN claimed
CN-115470543-A Stress analysis and calculation method for hydraulic engineering structure under wet-heat condition 三峡大学 2022-12-13 CN claimed
CN-114660033-A Method for rapidly detecting thyroxine T4 based on fluorescence resonance transfer 武汉海关技术中心 2022-06-24 CN claimed
CN-109608397-B Compound capable of blocking heavy metal absorption of plants and composition thereof 四川惠泰农业科技有限公司 2021-07-02 CN claimed
CN-110205122-B Controllable synthesis ultra-bright panchromatic carbon dot for finely regulating crystal morphology and application 四川中科微纳科技有限公司 2020-08-11 CN claimed
CN-101304972-B Process for preparing pyridylcarboxylic amides and esters BASF SE 2011-08-17 CN claimed
US-7692020-B2 Process for the preparation of pyridylcarboxylic amides and esters BASF SE (DE) 2010-04-06 US claimed
EP-1948609-B1 PROCESS FOR THE PREPARATION OF PYRIDYLCARBOXYLIC AMIDES AND ESTERS BASF SE (DE) 2010-03-10 EP claimed
CN-101304972-A Process for preparing pyridylcarboxylic amides and esters BASF AG (DE) 2008-11-12 CN claimed
US-20080249313-A1 Process for the Preparation of Pyridylcarboxylic Amides and Esters BASF SE (DE) 2008-10-09 US claimed
EP-1948609-A1 PROCESS FOR THE PREPARATION OF PYRIDYLCARBOXYLIC AMIDES AND ESTERS BASF SE (DE) 2008-07-30 EP claimed
WO-2007051759-A1 PROCESS FOR THE PREPARATION OF PYRIDYLCARBOXYLIC AMIDES AND ESTERS BASF SE (DE) 2007-05-10 WO claimed
EP-0378089-B1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF AG (DE) 1994-06-29 EP claimed
US-5011927-A Preparation of 2-amino-4-fluoropyrimidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US claimed
EP-0378089-A1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF Aktiengesellschaft (DE) 1990-07-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249313-A1 Process for the Preparation of Pyridylcarboxylic Amides and Esters ADH1C, ADH1A, CBR1 SLC7A5 3963/4885SLC1A3 3523/4885SLC1A2 3050/4885

“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.