Histidine

Histidine

SCHEMBL4452747

N[C@@H](CS)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
SLC7A11 Q9UPY5 1/20 0.48
SLC7A5 Q01650 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.41
PKM P14618 2/20 0.38
ALPI P09923 1/20 0.38
XIAP P98170 1/20 0.38
GRIA2 P42262 4/20 0.36
GRIA1 P42261 3/20 0.36
GRIA3 P42263 3/20 0.36
GRIA4 P48058 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
KMT2A Q03164 2/20 0.35

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
Histidine SCHEMBL18047802 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL851432 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL22091426 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL27769589 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL1673287 1.00 PTGS1 (0.48) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL28655326 0.98 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL28511880 0.98 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL28203991 0.98 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL1692193 0.98 PTGS1 (0.47) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2
Histidine SCHEMBL1257407 0.94 PTGS1 (0.43) PTGS1SLC7A11SLC7A5CYP3A4CYP1A2

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-1425262-B1 Acylthiols and compositions thereof as anti-HIV and anti-retroviral agents GOV OF USA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES NAT INST OF HEALTH (US) 2014-01-08 EP disclosed
US-8076372-B2 Acythiols and component thiol compositions as anti-HIV and anti-retroviral agents GOVERNMENT OF THE UNITED STATES (US) 2011-12-13 US disclosed
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2009-10-01 US disclosed
US-7528274-B2 Acylthiols and component thiol compositions as anti-HIV and anti-retroviral agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-05 US disclosed
EP-1425262-A4 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS US GOV HEALTH & HUMAN SERV (US) 2006-03-08 EP disclosed
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents GOVERNMENT OF THE UNITED STATES 2005-01-27 US disclosed
EP-1425262-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS The Gov. of USA, as represented by the Secretary, Dept. of Health and Human services, National Institutes of Health (US) 2004-06-09 EP disclosed
WO-2003014062-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-02-20 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 (2 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-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS ZC3HAV1, ZFP3, ATL3 PTGS1 1383/4885SLC7A11 957/4885SLC7A5 1790/4885
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents ZC3HAV1, ACAT2, ACAT1 PTGS1 1997/4885SLC7A11 724/4885SLC7A5 629/4885

“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.