Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | DNM2 | P50570 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13329934 | 0.86 | ESR1 (0.72) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329938 | 0.86 | ESR1 (0.72) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329947 | 0.85 | LMNA (0.83) | LMNAALDH1A1TSHRTP53MAPK1 | |
| SCHEMBL13329943 | 0.83 | ESR1 (0.78) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329988 | 0.82 | LMNA (0.59) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329891 | 0.81 | KCNH3 (0.63) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329894 | 0.81 | KCNH3 (0.63) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329897 | 0.81 | ESR1 (0.64) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329962 | 0.78 | ESR1 (0.60) | ESR1ESR2LMNAALDH1A1TSHR | |
| SCHEMBL13329973 | 0.77 | TLR8 (0.57) | ESR1ESR2LMNAALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7722893-B2 | Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-05-25 | — | — | US | disclosed |
| US-7722893-B2 | Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-05-25 | — | — | US | disclosed |