Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP51A1 | Q16850 | 3/20 | 0.51 |
| ▸ | FYN | P06241 | 2/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7457449 | 0.91 | CYP3A4 (0.51) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7457453 | 0.91 | CYP3A4 (0.51) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7670798 | 0.91 | CYP3A4 (0.50) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7453476 | 0.86 | CYP3A4 (0.54) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL9040015 | 0.85 | CYP3A4 (0.57) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7457867 | 0.84 | CYP3A4 (0.53) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7457876 | 0.84 | CYP3A4 (0.53) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL7812077 | 0.82 | CYP3A4 (0.55) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| Hydrochloric Acid SCHEMBL7457083 | 0.81 | CYP3A4 (0.52) | CYP3A4LMNACYP51A1FYNNR1I2 | |
| SCHEMBL2615012 | 0.79 | CYP3A4 (0.76) | 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 |
|---|---|---|---|---|---|---|---|
| US-6384030-B1 | COMPOUNDS AS FUNGICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-05-07 | — | — | US | disclosed |