Alanine

Alanine

SCHEMBL516189

CN[C@@H](CC(C)C)C(=O)O.C[C@H](N)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ LAP3 P28838 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ FOLH1 Q04609 4/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ LTA4H P09960 1/20 0.42
▸ PLA2G2A P14555 2/20 0.40
▸ PLA2G5 P39877 2/20 0.40
▸ RNPEP Q9H4A4 1/20 0.40
▸ GRN P28799 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
D-Alanine SCHEMBL3421250 1.00 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
Alanine SCHEMBL9439316 1.00 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93452 0.91 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93453 0.91 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93451 0.91 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
Alanine SCHEMBL8350844 0.89 ALDH1A1 (0.44) ALDH1A1LAP3MEN1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL4650725 0.89 ALDH1A1 (0.59) ALDH1A1LAP3MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL19924628 0.89 ALDH1A1 (0.59) ALDH1A1LAP3MEN1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL4650728 0.89 ALDH1A1 (0.59) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL7611218 0.89 ALDH1A1 (0.59) ALDH1A1LAP3MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028905-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A The State of Oregon, Acting by and through the State Board of Higher Education on behalf of 2012-02-02 — — US disclosed
US-8034780-B2 Isolation, purification, and structure elucidation of the antiproliferative compound coibamide A SMITHSONIAN TROPICAL RESEARCH INSTITUTE 2011-10-11 — — US disclosed
US-20090023642-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A THE STATE OF OREGON, ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2009-01-22 — — US disclosed
US-5350574-A Immunosuppressive agent for preventing organ rejection THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-09-27 — — 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-20090023642-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A TOP2B, MCL1, MKI67 ALDH1A1 2450/4885LAP3 2342/4885MEN1 1903/4885
US-20120028905-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A TOP2B, MCL1, MKI67 ALDH1A1 2450/4885LAP3 2342/4885MEN1 1903/4885

“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.

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