Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8506218 | 0.83 | ESR1 (0.41) | ESR1ESR2KDM4EALDH1A1HDAC4 | |
| SCHEMBL8584225 | 0.79 | HDAC4 (0.42) | ESR1ESR2HDAC4HDAC1HRH1 | |
| SCHEMBL8508075 | 0.79 | ESR1 (0.38) | ESR1ESR2HDAC4HDAC1HRH1 | |
| SCHEMBL8508072 | 0.78 | ESR2 (0.38) | ESR1ESR2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL8507437 | 0.78 | ESR1 (0.38) | ESR1ESR2HDAC4HDAC1HRH1 | |
| SCHEMBL8508007 | 0.78 | ESR2 (0.38) | ESR1ESR2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL6337118 | 0.75 | AOC3 (0.46) | ESR1ESR2 | |
| SCHEMBL6336674 | 0.72 | TAAR1 (0.46) | ESR1ESR2 | |
| SCHEMBL32688111 | 0.71 | SMN1; SMN2 (0.43) | KDM4EALDH1A1SMN1; SMN2TP53TSHR | |
| SCHEMBL32687987 | 0.71 | ALDH1A1 (0.41) | KDM4EALDH1A1SMN1; SMN2TSHRMAPK1 |
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-0934285-A1 | SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015539-A1 | SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-16 | — | — | WO | disclosed |