Alanine

Alanine

SCHEMBL996400

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.53
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.47
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 1/20 0.40
LTA4H P09960 1/20 0.39
GABRP O00591 4/20 0.39
GABRD O14764 4/20 0.39
GABRA1 P14867 4/20 0.39
GABRB1 P18505 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA4 P48169 4/20 0.39
GABRE P78334 4/20 0.39
GABRA6 Q16445 4/20 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 SCHEMBL996399 1.00 SLC7A5 (0.53) SLC7A5ACHETP53SLC1A3SLC1A2
Alanine SCHEMBL996694 1.00 SLC7A5 (0.53) SLC7A5ACHETP53SLC1A3SLC1A2
Alanine SCHEMBL14764702 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL2027760 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL2784274 0.93
Alanine SCHEMBL452350 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL1332110 0.93
D-Alanine SCHEMBL614024 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL254290 0.93 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL31 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US claimed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 WO claimed
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 US claimed
WO-2009092071-A2 AMINO ACID AND PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 WO claimed
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
EP-2453900-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-05-23 EP disclosed
WO-2011007247-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-01-20 WO disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 US disclosed
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US disclosed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 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 (4 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-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP SLC7A5 41/4885ACHE 72/4885TP53 3970/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP SLC7A5 44/4885ACHE 71/4885TP53 4169/4885
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF DNPEP, PEPD, PREP SLC7A5 47/4885ACHE 62/4885TP53 1810/4885
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS OPRL1, OGFR, OPRK1 SLC7A5 49/4885ACHE 225/4885TP53 4085/4885

“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.