Alanine

Alanine

SCHEMBL5581990

C[C@H](N)C(=O)O.C[S+](C)[O-].C[S+](C)[O-]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAP2K1MAP2K2

The experimentally established mechanism targets of Alanine. 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
SLC7A5 Q01650 2/20 0.46
TP53 P04637 1/20 0.40
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 1/20 0.36
LTA4H P09960 1/20 0.35
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35
GABRG1 Q8N1C3 4/20 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
Alanine SCHEMBL15482349 0.86 SLC7A5 (0.43) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL15482351 0.86 SLC7A5 (0.43) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL14764702 0.84 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL614024 0.84 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL2784274 0.84
Alanine SCHEMBL1332110 0.84
Alanine SCHEMBL254290 0.84 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
D-Alanine SCHEMBL2027760 0.84 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL452350 0.84 SLC7A5 (0.59) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Alanine SCHEMBL31 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042959-A1 Thrombin-inhibiting peptides NOESKE-JUNGBLUT CHRISTIANE 2007-02-22 US disclosed
US-20040147442-A1 For therapy of thromboses, unstable angina, arteriosclerosis, prophylaxis of a re-occlusion of vessels after PTCA/PTA or after thrombolysis for treating a myocardial infarction or for preventing blood clotting in the case of hemodialysis NOESKE-JUNGBLUT CHRISTIANE 2004-07-29 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 (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-20040147442-A1 For therapy of thromboses, unstable angina, arteriosclerosis, prophylaxis of a re-occlusion of vessels after PTCA/PTA or after thrombolysis for treating a myocardial infarction or for preventing blood clotting in the case of hemodialysis PLAT, PLAU, PTAFR SLC7A5 3319/4885TP53 4525/4885SLC1A3 3938/4885
US-20070042959-A1 Thrombin-inhibiting peptides SERPINC1, VIP, SERPINE1 SLC7A5 3878/4885TP53 4091/4885SLC1A3 2957/4885

“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.