Pavettine

Pavettine

SCHEMBL28190811

C=Cc1cccc2c1[nH]c1ccccc12.N#CC#N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
Pavettine SCHEMBL27567033 0.94 KIF11 (0.46) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL29450528 0.92 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL28686824 0.92 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL27511814 0.92 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL36138 0.92 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL7027032 0.90 KIF11 (0.49) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL10336589 0.90 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL11349640 0.90 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL11798972 0.90 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
Pavettine SCHEMBL9643901 0.90 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110257493-A DNA encoding library with the unreadable Encoding oligonucleotides connection of polymerase X-化学有限公司 2019-09-20 CN disclosed
CN-107428795-A Method for tagging DNA encoding libraries X-化学有限公司 2017-12-01 CN disclosed