Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.75 |
| ▸ | LMNA | P02545 | 3/20 | 0.75 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.75 |
| ▸ | FYN | P06241 | 2/20 | 0.75 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.75 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.75 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.75 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.75 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.75 |
| ▸ | HTR2A | P28223 | 2/20 | 0.75 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.75 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.75 |
| ▸ | PGR | P06401 | 1/20 | 0.75 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.75 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.75 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.75 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL10556947 | 0.90 | CYP3A4 (0.77) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10556942 | 0.90 | CYP3A4 (0.77) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL10671949 | 0.89 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL14765304 | 0.89 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL9663688 | 0.89 | CYP3A4 (0.75) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL1151809 | 0.88 | CYP3A4 (0.83) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL11072879 | 0.88 | CYP3A4 (0.82) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL9664745 | 0.88 | CYP3A4 (0.82) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL15927829 | 0.88 | CYP3A4 (0.84) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL11072868 | 0.88 | CYP3A4 (0.82) | CYP3A4LMNACYP51A1FYNNR1I2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017196859-A1 | A NOVEL POLYMORPH OF ITRACONAZOLE WITH IMPROVED PHARMACEUTICAL PROPERTIES | THE CHINESE UNIVERSITY OF HONG KONG (CN) | 2017-11-16 | — | — | WO | disclosed |