SCHEMBL28385591

SCHEMBL28385591

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nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 1/20 0.34
▸ ECE1 P42892 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32
▸ GABRE P78334 2/20 0.32
▸ GABRA6 Q16445 2/20 0.32
▸ GABRG1 Q8N1C3 2/20 0.32
▸ GABRG3 Q99928 2/20 0.32
▸ GABRQ Q9UN88 2/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL28445647 0.90 BHMT (0.37) BHMTCACNA2D1GABRPGABRDGABRA1
SCHEMBL28445648 0.90 BHMT (0.37) BHMTCACNA2D1GABRPGABRDGABRA1
SCHEMBL23408675 0.83 SLC7A5 (0.42) CACNA2D1LMNACACNB3CACNA1CCHRM2
SCHEMBL30499017 0.82 CA2 (0.41) BHMTCACNA2D1GABRPGABRDGABRA1
SCHEMBL28327992 0.80 LMNA (0.32) ECE1LMNACHRM2CHRM4CHRM5
SCHEMBL7781916 0.80 TSHR (0.37) ECE1LMNACHRM2CHRM4CHRM5
SCHEMBL7781912 0.80 TSHR (0.37) ECE1LMNACHRM2CHRM4CHRM5
SCHEMBL27637701 0.80 GABRP (0.37) BHMTCACNA2D1GABRPGABRDGABRA1
SCHEMBL6183383 0.79 MAPT (0.40) BHMTCACNA2D1GABRPGABRDGABRA1
SCHEMBL3081779 0.79 MAPT (0.40) BHMTCACNA2D1GABRPGABRDGABRA1

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
CN-110998331-A Pre-pubertal markers for pre-childhood diabetes 雀巢产品有限公司 2020-04-10 — — CN disclosed
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