Isoleucine

Isoleucine

SCHEMBL599451

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

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isoleucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
DPP4 P27487 12/20 0.46
DPP8 Q6V1X1 8/20 0.46
DPP9 Q86TI2 7/20 0.46
DPP7 Q9UHL4 7/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 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.

Compoundsimilaritytop predictedshared targets
Isoleucine SCHEMBL599450 1.00 SLC7A5 (0.50) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL5973421 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8868 0.95
Isoleucine SCHEMBL2783498 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL1255582 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL1255583 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8045737 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8186739 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL8043620 0.95 SLC7A5 (0.55) SLC7A5DPP4DPP8DPP9DPP7
Isoleucine SCHEMBL20340795 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948199-B1 PHARMACEUTICAL COMPOSITIONS FOR THE ADMINISTRATION OF APTAMERS IDEXX LAB INC (US) 2015-08-12 EP disclosed
US-8114440-B2 Pharmaceutical compositions for the administration of aptamers IDEXX LABORATORIES INC. (US) 2012-02-14 US disclosed
US-20100240741-A1 PHARMACEUTICAL COMPOSITIONS FOR THE ADMINISTRATION OF APTAMERS IDEXX LABORATORIES, INC. (US) 2010-09-23 US disclosed
US-7754679-B2 Pharmaceutical compositions for the administration of aptamers IDEXX LABORATORIES, INC. (US) 2010-07-13 US disclosed
EP-1948199-A1 PHARMACEUTICAL COMPOSITIONS FOR THE ADMINISTRATION OF APTAMERS IDEXX Laboratories Inc (US) 2008-07-30 EP disclosed
WO-2007058801-A1 PHARMACEUTICAL COMPOSITIONS FOR THE ADMINISTRATION OF APTAMERS IDEXX LABORATORIES INC. (US) 2007-05-24 WO disclosed
US-20070110827-A1 Pharmaceutical compositions for the administration of aptamers IDEXX LABORATORIES INC. 2007-05-17 US disclosed
US-20070111969-A1 Pharmaceutical compositions for the administration of aptamers IDEXX LABORATORIES INC. 2007-05-17 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 (3 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-20100240741-A1 PHARMACEUTICAL COMPOSITIONS FOR THE ADMINISTRATION OF APTAMERS PHOSPHO1, SGMS1, PCYT1A SLC7A5 228/4885DPP4 1254/4885DPP8 1104/4885
US-20070111969-A1 Pharmaceutical compositions for the administration of aptamers PHOSPHO1, SGMS1, PCYT1A SLC7A5 228/4885DPP4 1254/4885DPP8 1104/4885
US-20070110827-A1 Pharmaceutical compositions for the administration of aptamers PHOSPHO1, SGMS1, PCYT1A SLC7A5 228/4885DPP4 1254/4885DPP8 1104/4885

“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.