Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.60 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.55 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.55 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.55 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9199004 | 0.86 | HRH3 (0.60) | HRH3ESR1ESR2ALDH1A1HTR2A | |
| SCHEMBL7132136 | 0.81 | LTA4H (0.70) | HRH3PSMB1PSMB5PSMB2 | |
| SCHEMBL82404 | 0.81 | HRH3 (0.59) | HRH3GRIN2DGRIN3BMAPTGRIN1 | |
| SCHEMBL82383 | 0.80 | ALDH1A1 (0.67) | HRH3MAPK1ALDH1A1CYP1A2CHRM2 | |
| SCHEMBL25462936 | 0.79 | MAPT (0.64) | HRH3GRIN2DGRIN3BMAPTGRIN1 | |
| SCHEMBL82436 | 0.79 | GRIN2D (0.57) | HRH3GRIN2DGRIN3BMAPTGRIN1 | |
| SCHEMBL11753349 | 0.79 | MEN1 (0.59) | HRH3ALDH1A1HTR2AKDM4E | |
| SCHEMBL15834053 | 0.78 | HRH3 (0.66) | HRH3KDM4EPSMB1PSMB5PSMB2 | |
| SCHEMBL8337754 | 0.78 | HRH3 (0.70) | HRH3ALDH1A1KDM4EPSMB1PSMB5 | |
| SCHEMBL10191921 | 0.77 | LTA4H (0.65) | HRH3KCNA5ALDH1A1USP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015160192-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING AND PREVENTING LEUKEMIA, CONTAINING THIENOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 연세대학교 산학협력단 | 2015-10-22 | — | — | WO | disclosed |