Niacinamide

Niacinamide

SCHEMBL23117431

NC(=O)c1cccnc1.Nc1ncnc2c1ncn2[C@@]1(F)C(O)O[C@H](COP(=O)(O)O)[C@H]1O

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.47
▸ P2RY1 P47900 2/20 0.47
▸ DNPH1 O43598 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ P2RY11 Q96G91 1/20 0.47

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
Adenosine Phosphate SCHEMBL160972 0.81 P2RY1 (0.75) SRCP2RY1DNPH1PRKAB2TRPM2
Adenosine Phosphate SCHEMBL27419541 0.81 P2RY1 (0.75) SRCP2RY1DNPH1PRKAB2TRPM2
Niacinamide SCHEMBL6233231 0.79 ADORA1 (0.64) SRCP2RY1DNPH1PRKAB2TRPM2
Adenosine Diphosphate SCHEMBL570243 0.75 ADH1A (0.74) SRCP2RY1TRPM2P2RY2SMN1; SMN2
Adenosine Triphosphate SCHEMBL811698 0.75 ADH1A (0.75) SRCP2RY1TRPM2P2RY2SMN1; SMN2
Adenosine Phosphate SCHEMBL810818 0.74 DNPH1 (0.75) SRCP2RY1DNPH1PRKAB2TRPM2
Niacinamide SCHEMBL28275359 0.73 EGFR (0.53) SRCADH1AEGFRKDR
Niacinamide SCHEMBL8447045 0.72 EGFR (0.47) SRCADORA1SMN1; SMN2ADH1AIMPDH2
SCHEMBL28769844 0.72 P2RY1 (0.57) SRCP2RY1DNPH1PRKAB2TRPM2
Adenosine SCHEMBL5981999 0.71 ADORA1 (0.65) SRCP2RY1DNPH1PRKAB2TRPM2

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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 — — 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 (1 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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 SRC 4726/4885P2RY1 39/4885DNPH1 1681/4885

“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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