Acetylserotonin

Acetylserotonin

SCHEMBL29669245

CC(=O)NCCc1c[nH]c2ccc(O)cc12.[O]

nearest known ligand 0.97

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.97
▸ KDM4E B2RXH2 4/20 0.97
▸ CYP1A2 P05177 4/20 0.97
▸ NOTUM Q6P988 3/20 0.97
▸ CYP2D6 P10635 3/20 0.97
▸ ALDH1A1 P00352 3/20 0.97
▸ BLM P54132 3/20 0.97
▸ CYP3A4 P08684 2/20 0.97
▸ HPGD P15428 2/20 0.97
▸ NPSR1 Q6W5P4 2/20 0.97
▸ MAPT P10636 1/20 0.97
▸ IDO1 P14902 1/20 0.97
▸ MTNR1A P48039 6/20 0.74
▸ MTNR1B P49286 6/20 0.74
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ NQO2 P16083 3/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ CYP1A1 P04798 1/20 0.69
▸ MPO P05164 1/20 0.69

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
Acetylserotonin SCHEMBL422165 0.99 SPR (1.00) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL29375184 0.99 SPR (1.00) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL30295379 0.99 SPR (1.00) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL31488730 0.97 SPR (0.97) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL28475510 0.91 SPR (0.86) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL28474145 0.91 SPR (0.86) SPRKDM4ECYP1A2NOTUMCYP2D6
Acetylserotonin SCHEMBL7569197 0.90 SPR (0.83) SPRKDM4ECYP1A2NOTUMCYP2D6
SCHEMBL1960963 0.86 SPR (0.78) SPRKDM4ECYP1A2NOTUMCYP2D6
SCHEMBL7100086 0.85 SPR (0.76) SPRKDM4ECYP1A2NOTUMCYP2D6
SCHEMBL1131640 0.85 SPR (0.76) SPRKDM4ECYP1A2NOTUMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111849934-B Tue-sang-Dodecan-5-hydroxytryptamine oxygen methyltransferase and application thereof 西南大学 2022-06-03 — — CN claimed
CN-111849934-B Tue-sang-Dodecan-5-hydroxytryptamine oxygen methyltransferase and application thereof 西南大学 2022-06-03 — — CN disclosed
CN-111849934-B Tue-sang-Dodecan-5-hydroxytryptamine oxygen methyltransferase and application thereof 西南大学 2022-06-03 — — CN disclosed
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