Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.47 |
| ▸ | PPARA | Q07869 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27613846 | 0.82 | CYP3A4 (0.41) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL27613874 | 0.82 | CYP3A4 (0.41) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL7754177 | 0.81 | PPARG (0.58) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL27884800 | 0.77 | MEN1 (0.50) | PPARGPPARACHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL28776180 | 0.77 | SLC6A2 (0.44) | PPARGPPARAMAOB | |
| SCHEMBL27884796 | 0.77 | PPARG (0.47) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL20045400 | 0.74 | PPARG (0.57) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL13209409 | 0.72 | IDO1 (0.47) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL27884802 | 0.72 | PPARG (0.55) | PPARGPPARACA1CA2MMP2 | |
| SCHEMBL27595070 | 0.71 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1187326-C | Novel compounds | ASTRAZENECA AB (SE) | 2005-02-02 | — | — | CN | disclosed |
| CN-1426412-A | Novel compounds | ASTRAZENECA AB (SE) | 2003-06-25 | — | — | CN | disclosed |
| CN-1426394-A | Novel compounds | ASTRAZENECA AB (SE) | 2003-06-25 | — | — | CN | disclosed |