Threonine

Threonine

SCHEMBL16395697

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nearest known ligand 0.57

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Threonine. 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 0.57
TP53 P04637 1/20 0.45
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33

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
Threonine SCHEMBL16395696 1.00 SLC7A5 (0.57) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL5222431 1.00 SLC7A5 (0.57) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL18096480 0.94 SLC7A5 (0.57) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL18096482 0.94 SLC7A5 (0.57) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL6038228 0.94 SLC7A5 (0.63) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL117301 0.94
Threonine SCHEMBL18050157 0.94 SLC7A5 (0.63) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL16111860 0.94 SLC7A5 (0.63) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Threonine SCHEMBL14946556 0.94
Threonine SCHEMBL92730 0.94

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022171-B1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF AKZO NOBEL CHEMICALS INT BV (NL) 2017-07-05 EP disclosed
EP-3022171-B1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF AKZO NOBEL CHEMICALS INT BV (NL) 2017-07-05 EP disclosed
US-9416095-B2 Salts, crystals, complexes, and derivatives of threonine diacetic acid, a process to prepare threonine diacetic acid, and the use thereof AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-08-16 US disclosed
US-9416095-B2 Salts, crystals, complexes, and derivatives of threonine diacetic acid, a process to prepare threonine diacetic acid, and the use thereof AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-08-16 US disclosed
US-20160159730-A1 New Salts, Crystals, Complexes, and Derivatives of Threonine Diacetic Acid, a Process to Prepare threonine Diacetic Acid, and the Use Thereof AKZO NOBEL CHEMICALS INTERNATIONAL B.V. 2016-06-09 US disclosed
US-20160159730-A1 New Salts, Crystals, Complexes, and Derivatives of Threonine Diacetic Acid, a Process to Prepare threonine Diacetic Acid, and the Use Thereof AKZO NOBEL CHEMICALS INTERNATIONAL B.V. 2016-06-09 US disclosed
EP-3022171-A1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF Akzo Nobel Chemicals International B.V. (NL) 2016-05-25 EP disclosed
EP-3022171-A1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF Akzo Nobel Chemicals International B.V. (NL) 2016-05-25 EP disclosed
CN-105377809-A Novel salts, crystals, complexes and derivatives of threonine diacetic acid, process for preparing threonine diacetic acid and use thereof AKZO NOBEL CHEMICALS INT BV 2016-03-02 CN disclosed
WO-2015007630-A1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-01-22 WO disclosed
WO-2015007630-A1 NEW SALTS, CRYSTALS, COMPLEXES, AND DERIVATIVES OF THREONINE DIACETIC ACID, A PROCESS TO PREPARE THREONINE DIACETIC ACID, AND THE USE THEREOF AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-01-22 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 (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-20160159730-A1 New Salts, Crystals, Complexes, and Derivatives of Threonine Diacetic Acid, a Process to Prepare threonine Diacetic Acid, and the Use Thereof LRRK2, SKP2, PLK1 SLC7A5 474/4885TP53 275/4885SLC1A3 1741/4885

“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.