Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 8/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL10491403 | 0.91 | CYP3A4 (0.47) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL9528324 | 0.91 | CYP3A4 (0.47) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL9532750 | 0.85 | CYP3A4 (0.46) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL10491433 | 0.85 | CYP3A4 (0.46) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| Hydrochloric Acid SCHEMBL10491364 | 0.84 | CYP3A4 (0.41) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL10491371 | 0.82 | CYP3A4 (0.44) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL10834796 | 0.80 | CYP3A4 (0.45) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL9529005 | 0.78 | ABCG2 (0.45) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| Hydrochloric Acid SCHEMBL10491435 | 0.77 | ABCG2 (0.45) | CYP3A4LMNATSHRCYP2D6NR1I2 | |
| SCHEMBL11982878 | 0.74 | CYP3A4 (0.49) | CYP3A4LMNATSHRCYP2D6NR1I2 |
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-4886802-A | ANALGESICS | ROUSSEL UCLAF (FR) | 1989-12-12 | — | — | US | disclosed |