Methyldopa

Methyldopa

SCHEMBL5370162

C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.NN

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2C

The experimentally established mechanism targets of Methyldopa. 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
▸ ADRA2A known ✓ P08913 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.97
▸ HSD17B10 Q99714 6/20 0.97
▸ TDP1 Q9NUW8 5/20 0.97
▸ MAPT P10636 5/20 0.97
▸ BLM P54132 4/20 0.97
▸ HPGD P15428 4/20 0.97
▸ ALOX15 P16050 4/20 0.97
▸ ALDH1A1 P00352 4/20 0.97
▸ POLB P06746 3/20 0.97
▸ APEX1 P27695 3/20 0.97
▸ RECQL P46063 3/20 0.97
▸ CYP1A2 P05177 2/20 0.97
▸ CYP3A4 P08684 2/20 0.97
▸ GAA P10253 2/20 0.97
▸ PMP22 Q01453 2/20 0.97
▸ USP2 O75604 2/20 0.97
▸ EGFR P00533 2/20 0.97
▸ FYN P06241 2/20 0.97
▸ PTGS2 P35354 2/20 0.97

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
Methyldopa (Racemic) SCHEMBL5929436 1.00 KDM4E (0.97) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL30176814 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL1321546 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL34003 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa (Racemic) SCHEMBL196981 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL29352376 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL1172822 0.98 KDM4E (1.00) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa (Racemic) SCHEMBL29013197 0.97 KDM4E (0.97) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa (Racemic) SCHEMBL259452 0.97 KDM4E (0.97) KDM4EHSD17B10TDP1MAPTBLM
Methyldopa SCHEMBL11452341 0.97 KDM4E (0.97) KDM4EHSD17B10TDP1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241797-B2 Method of increasing milk production UNIVERSITY OF CINCINNATI (US) 2007-07-10 — — US disclosed
US-20030139420-A1 Method of increasing milk production NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-24 — — US disclosed
US-5240930-A Yohimbine with catecholamine precursor NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-08-31 — — US disclosed
EP-0345304-B1 PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1992-10-28 — — EP disclosed
US-5015654-A Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-05-14 — — US disclosed
EP-0345304-A1 PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1989-12-13 — — EP disclosed
WO-1989001774-A1 PHARMACEUTICAL COMPOSITIONS SAAD AL DAMLUJI (GB) 1989-03-09 — — WO disclosed
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