Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL3029323

CCCC[N+](CCCC)(CCCC)CCCC.Clc1nc(Cl)c2[nH]cnc2n1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.48
XDH P47989 7/20 0.47
DPP4 P27487 1/20 0.46
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
PIN1 Q13526 1/20 0.42
PAK1 Q13153 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38

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
SCHEMBL8719273 0.79 DPP4 (0.63) POLA1XDHDPP4ADORA3
Tetrabuthylammonium SCHEMBL200612 0.72 CDK2 (0.68) DPP4CDK1CCNB1CCNA2CDK2
SCHEMBL7293081 0.70 DPP4 (0.56) POLA1XDHDPP4CDK1CCNB1
SCHEMBL16146631 0.68 XDH (0.65) XDHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4451634 0.68 XDH (0.61) XDHDPP4ADORA3
SCHEMBL7110774 0.67 XDH (0.51) XDHDPP4CDK1CCNB1CCNA2
Purine SCHEMBL10869621 0.67 KDM4E (0.50) POLA1XDHDPP4
Hydrochloric Acid SCHEMBL7736838 0.66 DPP4 (0.59) POLA1XDHDPP4CDK2ADORA3
SCHEMBL24500763 0.64 XDH (0.56) XDHDPP4CDK2ADORA3
SCHEMBL2997392 0.64 DPP4 (0.61) POLA1XDHDPP4CDK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101848891-A Preparation of synthetic nucleosides by pi-allyl transition metal complex formation UNIV EMORY 2010-09-29 CN disclosed
US-20100204463-A1 Preparation Of Synthetic Nucleosides via Pi-Allyl Transition Metal Complex Formation EMORY UNIVERSITY 2010-08-12 US disclosed
EP-2185508-A1 PREPARATION OF SYNTHETIC NUCLEOSIDES VIA pi-ALLYL TRANSITION METAL COMPLEX FORMATION Emory University (US) 2010-05-19 EP disclosed
WO-2009021114-A1 PREPARATION OF SYNTHETIC NUCLEOSIDES VIA π-ALLYL TRANSITION METAL COMPLEX FORMATION EMORY UNIVERSITY (US) 2009-02-12 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-20100204463-A1 Preparation Of Synthetic Nucleosides via Pi-Allyl Transition Metal Complex Formation PAICS, POLRMT, ZC3HAV1 POLA1 22/4885XDH 1752/4885DPP4 416/4885

“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.