Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4247963 | 0.83 | LMNA (0.52) | CYP3A4CYP1A2CYP2C19MAPTALDH1A1 | |
| SCHEMBL4061329 | 0.79 | BCL2 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL8077209 | 0.78 | CYP1A2 (0.67) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL30375018 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL5709982 | 0.77 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4070902 | 0.77 | LMNA (0.53) | LMNAHSP90AA1POLBHSP90AB1MAPK1 | |
| SCHEMBL28000168 | 0.77 | HSP90AA1 (0.54) | CYP3A4CYP2C9CYP2C19MAPTLMNA | |
| SCHEMBL4069050 | 0.76 | BCL2 (0.67) | CYP3A4CYP1A2CYP2C19MAPTALDH1A1 | |
| SCHEMBL21644528 | 0.76 | ABCG2 (0.66) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL30779687 | 0.76 | ABCG2 (0.66) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |