Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | RPS27 | P42677 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13329969 | 0.83 | HRH4 (0.57) | HRH1HRH4TP53 | |
| SCHEMBL13329915 | 0.80 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL13329909 | 0.80 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL13329965 | 0.78 | ESR1 (0.52) | ESR1ESR2HTR7ALDH1A1LMNA | |
| SCHEMBL11507979 | 0.71 | LMNA (0.54) | RPS27ALDH1A1LMNATP53TSHR | |
| SCHEMBL14869428 | 0.70 | CA1 (0.54) | APPBCHEACHEALDH1A1CA1 | |
| SCHEMBL14869410 | 0.69 | CA1 (0.56) | HTR7APPCA1CA2CA9 | |
| SCHEMBL3913203 | 0.67 | KDM4E (0.57) | APPBCHEACHEALDH1A1LMNA | |
| SCHEMBL13309932 | 0.66 | HRH4 (0.60) | HRH1HRH4ALDH1A1MAPK1BLM | |
| SCHEMBL13329874 | 0.66 | LMNA (0.66) | ESR1ESR2HTR7APPALDH1A1 |
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 |