Acetonitrile

Acetonitrile

SCHEMBL6325144

CC#N.CCN(CC)CC.Cc1ccc(C(C)(C)C)cc1S

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTR1D P28221 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20331 0.80 TSHR (0.44) HPGDTSHRRAB9AKDM4EHTR1D
SCHEMBL1843380 0.66 TSHR (0.46) HPGDTSHRRAB9AKDM4EHTR1D
SCHEMBL24423316 0.65 ESR1 (0.48) HPGDTSHRKIF11ALDH1A1ALOX15
SCHEMBL7287002 0.65 TSHR (0.44) HPGDTSHRRAB9AKDM4EHTR1D
SCHEMBL7286991 0.65 TSHR (0.44) HPGDTSHRRAB9AKDM4EHTR1D
SCHEMBL11157398 0.65 PDE2A (0.42) TSHRKIF11ALDH1A1
SCHEMBL12169311 0.64 TSHR (0.45) HPGDTSHRKDM4EKIF11ALDH1A1
SCHEMBL29403104 0.64 ALDH1A1 (0.46) HPGDTSHRRAB9ACYP1A2CYP2C19
SCHEMBL179803 0.64 ALDH1A1 (0.46) HPGDTSHRRAB9ACYP1A2CYP2C19
SCHEMBL2009857 0.63 TSHR (0.52) HPGDTSHRRAB9AKDM4EHTR1D

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
US-6967247-B2 Deprotection of phosphorus in oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US disclosed
US-20040024194-A1 Deprotection of phosphorus in oligonucleotide synthesis ISIS PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2004009612-A1 DEPROTECTION OF PHOSPHORUS IN OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2004-01-29 WO 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-20040024194-A1 Deprotection of phosphorus in oligonucleotide synthesis OR51E2, PNKP, RNGTT HPGD 4490/4885TSHR 1151/4885RAB9A 4845/4885

“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.