Beta Carotene

Beta Carotene

SCHEMBL4092791

CC(=O)O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1

nearest known ligand 0.89

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Beta Carotene. 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
ADRA2B known ✓ P18089 1/20 0.85
ALDH1A1 P00352 10/20 0.89
PTGS1 P23219 4/20 0.89
LMNA P02545 2/20 0.89
DRD3 P35462 2/20 0.89
SLCO1B3 Q9NPD5 2/20 0.89
SLCO1B1 Q9Y6L6 2/20 0.89
MAPT P10636 7/20 0.85
CYP3A4 P08684 6/20 0.85
RXRA P19793 5/20 0.85
RARA P10276 4/20 0.85
RARB P10826 4/20 0.85
RARG P13631 4/20 0.85
APP P05067 4/20 0.85
SNCA P37840 4/20 0.85
MAPK1 P28482 3/20 0.85
ALOX15 P16050 3/20 0.85
RXRB P28702 2/20 0.85
RXRG P48443 2/20 0.85
RORC P51449 2/20 0.85

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
Beta Carotene SCHEMBL6650927 0.96 ALDH1A1 (0.92) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL135090 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL29636150 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL29445419 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL6151 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL15066330 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL5316237 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL2300399 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL20996197 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3
Beta Carotene SCHEMBL29360574 0.94 ALDH1A1 (1.00) ALDH1A1PTGS1LMNADRD3SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090220640-A1 Method of Supplementing Animals with Carotenoids by Drinking Water ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2009-09-03 US disclosed