Histidine

Histidine

SCHEMBL2269187

NCCCC[C@H](N)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.O=C(O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Histidine. 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
▸ TDP1 Q9NUW8 5/20 0.62
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 8/20 0.44
▸ CA1 P00915 8/20 0.44
▸ CA2 P00918 8/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ FOLH1 Q04609 2/20 0.43
▸ PLG P00747 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ TPSAB1 Q15661 2/20 0.41

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
Biotin SCHEMBL20495575 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6734256 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL15067661 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL1774374 0.84 TDP1 (0.49) TDP1MEN1ABL1LMNAPKM
SCHEMBL1772652 0.84 TDP1 (0.49) TDP1MEN1ABL1LMNAPKM
Palmitoyl Glycine SCHEMBL23295180 0.83 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL31215417 0.81 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
Lysine SCHEMBL9580131 0.81 TDP1 (0.93) TDP1MEN1ABL1LMNAPKM
Palmitoyl Glycine SCHEMBL28600920 0.80 FAAH (0.46) TDP1MEN1KMT2A
SCHEMBL29349497 0.79 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201562-A1 FORMULATIONS AND METHOD FOR TREATING BALDNESS SEDERMA (FR) 2011-08-18 — — US disclosed
US-20060067905-A1 Formulations and method for treating baldness SEDERMA SAS (FR) 2006-03-30 — — US disclosed
WO-2000058347-A1 COSMETIC OR DERMOPHARMACEUTICAL COMPOSITIONS CONTAINING TRIPEPTIDE N-BIOTINYL-GLY-HIS-LYS FOR THE PREVENTION, REDUCTION OR SUPPRESSION OF HAIR LOSS AND STIMULATION OF REGROWTH SEDERMA (FR) 2000-10-05 — — 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-20110201562-A1 FORMULATIONS AND METHOD FOR TREATING BALDNESS CYP2R1, BTD, AGK TDP1 4575/4885MEN1 4351/4885ABL1 4739/4885
US-20060067905-A1 Formulations and method for treating baldness CYP2R1, BTD, AGK TDP1 4575/4885MEN1 4351/4885ABL1 4739/4885

“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.

Send feedback