Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3515962 | 0.83 | TSHR (0.60) | KDM4EHRH3MAPK1CYP1A2ALDH1A1 | |
| SCHEMBL18707283 | 0.82 | KDM4E (0.57) | KDM4EALDH1A1TSHR | |
| SCHEMBL24997065 | 0.80 | KDM4E (1.00) | KDM4EHRH3MAPK1CYP1A2ALDH1A1 | |
| SCHEMBL1442766 | 0.80 | HRH3 (0.69) | HRH3MAPK1CYP1A2ALDH1A1CHRM2 | |
| SCHEMBL14742300 | 0.80 | TSHR (0.63) | KDM4EALDH1A1HTR2BTSHR | |
| SCHEMBL3165091 | 0.78 | HRH3 (0.58) | KDM4EHRH3MAPK1CYP1A2ALDH1A1 | |
| SCHEMBL28549776 | 0.77 | TSHR (0.49) | KDM4EALDH1A1TSHR | |
| SCHEMBL3514630 | 0.76 | SYK (0.54) | KDM4EALDH1A1HTR2BCYP2D6TSHR | |
| SCHEMBL12448372 | 0.76 | KDM4E (0.67) | KDM4EHRH3MAPK1CYP1A2ALDH1A1 | |
| SCHEMBL4813435 | 0.75 | CYP2D6 (0.56) | KDM4EHRH3CYP1A2ALDH1A1KCNH2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981876-A1 | TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS | Arrow Therapeutics Limited (GB) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007080401-A1 | TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS | ARROW THERAPEUTICS LIMITED (GB) | 2007-07-19 | — | — | WO | disclosed |