Alanine

Alanine

SCHEMBL3274115

C[C@H](N)C(=O)O.Nc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.58
PTPRB P23467 1/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 2/20 0.54
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
BRCA1 P38398 1/20 0.52
HIF1A Q16665 1/20 0.52
SCP2 P22307 1/20 0.41
ELANE P08246 1/20 0.40
MAOA P21397 2/20 0.39
NR1I2 O75469 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
Alanine SCHEMBL3282143 1.00 PTPRA (0.58) PTPRAPTPRBMEN1KMT2ARAB9A
Alanine SCHEMBL3281125 1.00 PTPRA (0.58) PTPRAPTPRBMEN1KMT2ARAB9A
Alanine SCHEMBL3274213 0.95 PTPRA (0.56) PTPRAPTPRBMEN1KMT2ARAB9A
Leucine SCHEMBL3275050 0.90 PTPRA (0.60) PTPRAPTPRBMEN1KMT2ARAB9A
SCHEMBL3275224 0.89 KMT2A (0.62) PTPRAPTPRBMEN1KMT2ARAB9A
SCHEMBL3275812 0.81 MEN1 (0.41) PTPRAPTPRBMEN1KMT2ARAB9A
SCHEMBL3275818 0.81 MEN1 (0.53) PTPRAPTPRBMEN1KMT2ARAB9A
Acetic Acid SCHEMBL313911 0.80 KMT2A (0.45) PTPRAPTPRBMEN1KMT2ARAB9A
SCHEMBL15087108 0.80 PTPRA (0.84) PTPRAPTPRBMEN1KMT2ARAB9A
SCHEMBL13338326 0.77 LCK (0.52) MEN1KMT2ARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695930-B2 Method for the detection, identification and/or quantification of microoganisms with peptidase activity using phenoxazinone derivatives as enzyme substrates BIOMERIEUX (FR) 2010-04-13 US disclosed
US-20080286820-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2008-11-20 US disclosed
US-7420054-B2 Phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2008-09-02 US disclosed
US-20060121551-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2006-06-08 US disclosed
EP-1625117-A1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2006-02-15 EP disclosed
WO-2004101536-A1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2004-11-25 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-20060121551-A1 Novel phenoxazinone derivatives as enzyme substrates and use thereof as indicator in the detection of microorganisms with peptidase activity PEPD, CTRL, PM20D2 PTPRA 1042/4885PTPRB 628/4885MEN1 2241/4885

“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.