Sugi Predict

Sugi Predict / Compounds / Alanine

Alanine

Alanine

SCHEMBL891875

C[C@H](N)C(=O)O.O=C1NC(=S)NC1c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ DHFR P00374 2/20 0.47
▸ GUSB P08236 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ USP2 O75604 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ALOX12 P18054 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
Threonine SCHEMBL7805410 0.89 ALDH1A1 (0.43) ALDH1A1DHFRGUSBMEN1KMT2A
SCHEMBL62941 0.84 ALDH1A1 (0.58) ALDH1A1DHFRGUSBMEN1KMT2A
Norleucine SCHEMBL7458269 0.82 DHFR (0.46) ALDH1A1DHFRGUSBMEN1KMT2A
Nitrous Acid SCHEMBL1979274 0.80 ALDH1A1 (0.50) ALDH1A1DHFRGUSBMEN1KMT2A
Tyrosine SCHEMBL2162292 0.79 SLC7A5 (0.55) ALDH1A1DHFRGUSB
Threonine SCHEMBL9838836 0.75 USP2 (0.48) ALDH1A1USP2LMNATDP1POLB
Threonine SCHEMBL9838841 0.75 USP2 (0.48) ALDH1A1USP2LMNATDP1POLB
Tryptophan SCHEMBL4274128 0.75 KMT2A (0.65) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5766793 0.70 DHFR (0.70) ALDH1A1DHFRGUSBMEN1KMT2A
SCHEMBL9701173 0.70 DHFR (0.62) ALDH1A1DHFRGUSBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116815168-A Nickel-free chemical copper plating solution and preparation method thereof 广东硕成科技股份有限公司 2023-09-29 — — CN disclosed
US-20120083036-A1 POLYSACCHARIDE TRANSFERASE ADELAIDE RESEARCH AND INNOVATION PTY LTD (AU) 2012-04-05 — — US disclosed
US-20100009414-A1 POLYSACCHARIDE TRANSFERASE ADELAIDE RESEARCH AND INNOVATION PTY LTD (AU) 2010-01-14 — — US disclosed
EP-2082034-A1 POLYSACCHARIDE TRANSFERASE Adelaide Research & Innovation Pty Ltd. (AU) 2009-07-29 — — EP disclosed
WO-2008011681-A1 POLYSACCHARIDE TRANSFERASE ADELAIDE RESEARCH AND INNOVATION PTY LTD (AU) 2008-01-31 — — WO disclosed
EP-0788305-B1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS UNIV COLUMBIA (US) 2004-11-03 — — EP disclosed
US-6037386-A LATEX BARRIER HAVING POLYMER MATRIX COMPRISING ZINC OXIDE OR ZINC GLUCONATE GEL IRRITANT DEACTIVATING AGENT; CONDOMS, GLOVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2000-03-14 — — US disclosed
US-5965610-A MIXTURE CONTAINING CHLORHEXIDINE GLUCONATE AND ZINC GLUCONATE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-10-12 — — US disclosed
EP-0788305-A4 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS UNIV COLUMBIA (US) 1999-05-26 — — EP disclosed
US-5708023-A NONIRRITATING GEL FOR SKIN THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1998-01-13 — — US disclosed
EP-0788305-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS The Trustees of Columbia University in the City of New York (US) 1997-08-13 — — EP disclosed
WO-1995026134-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-10-05 — — WO disclosed