Ethyne

Ethyne

SCHEMBL17596309

C#C.c1cncc(SSc2cccnc2)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
MGLL Q99685 1/20 0.39
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL2829221 0.95 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4MEN1
SCHEMBL29896037 0.95 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL30967433 0.92 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL10942983 0.92 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4MEN1
SCHEMBL25574416 0.81
SCHEMBL14749003 0.81
SCHEMBL28530165 0.81 CYP2A6 (0.38) ALDH1A1CYP2A6CYP1A2CYP3A4MAPT
SCHEMBL9548473 0.79 CYP2A6 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4MAPT
SCHEMBL16724698 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2CYP3A4MAPT
SCHEMBL1330059 0.78 EHMT2 (0.63) ALDH1A1CYP2A6CYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191016-B1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHODS FOR THEIR USE UNIV WASHINGTON (US) 2021-10-27 EP disclosed
US-10828398-B2 Functionalized zwitterionic and mixed charge polymers, related hydrogels, and methods for their use UNIVERSITY OF WASHINGTON (US) 2020-11-10 US disclosed
US-20200289712-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHODS FOR THEIR USE UNIVERSITY OF WASHINGTON (US) 2020-09-17 US disclosed
US-10272180-B2 Functionalized zwitterionic and mixed charge polymers, related hydrogels, and methods for their use UNIVERSITY OF WASHINGTON (US) 2019-04-30 US disclosed
US-20170266350-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHODS FOR THEIR USE UNIVERSITY OF WASHINGTON (US) 2017-09-21 US disclosed
CN-106999270-A The amphion of functionalization and hybrid charge polymer, related hydrogel and their application method 华盛顿大学 2017-08-01 CN disclosed
EP-3191016-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHDS FOR THEIR USE University of Washington (US) 2017-07-19 EP disclosed
WO-2016040489-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHDS FOR THEIR USE JIANG SHAOYI (US) 2016-03-17 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 (4 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-20200289712-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHODS FOR THEIR USE PHOSPHO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PARG ALDH1A1 4514/4885CYP2A6 4765/4885CYP1A2 4865/4885
US-10272180-B2 Functionalized zwitterionic and mixed charge polymers, related hydrogels, and methods for their use PHOSPHO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PARG ALDH1A1 4514/4885CYP2A6 4765/4885CYP1A2 4865/4885
US-20170266350-A1 FUNCTIONALIZED ZWITTERIONIC AND MIXED CHARGE POLYMERS, RELATED HYDROGELS, AND METHODS FOR THEIR USE PHOSPHO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PARG ALDH1A1 4514/4885CYP2A6 4765/4885CYP1A2 4865/4885
US-10828398-B2 Functionalized zwitterionic and mixed charge polymers, related hydrogels, and methods for their use PHOSPHO1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PARG ALDH1A1 4514/4885CYP2A6 4765/4885CYP1A2 4865/4885

“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.