Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | EEF2K | O00418 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23121057 | 0.94 | CYP1A2 (0.70) | CYP1A2CYP2D6TLR8HTR1DHTR1B | |
| SCHEMBL10691316 | 0.84 | CYP1A2 (0.82) | CYP1A2CYP2D6HTR1DHTR1BDRD4 | |
| SCHEMBL7344115 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6EEF2KMEN1KMT2A | |
| SCHEMBL7343396 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6EEF2KMEN1KMT2A | |
| SCHEMBL7337002 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2D6EEF2KMEN1KMT2A | |
| SCHEMBL13990186 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2D6HTR1DHTR1BDRD4 | |
| SCHEMBL7339633 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6EEF2KMEN1KMT2A | |
| SCHEMBL17965485 | 0.79 | CYP1A2 (0.74) | CYP1A2CYP2D6HTR1DHTR1BDRD4 | |
| SCHEMBL11190221 | 0.79 | CYP1A2 (0.74) | CYP1A2CYP2D6HTR1DHTR1BDRD4 | |
| SCHEMBL7338728 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2D6MEN1KMT2ADRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4732989-A | INTERMEDIATES FOR BACTERICIDES | G. D. SEARLE & CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4661602-A | ANTIANAEROBIC AGENTS | G. D. SEARLE & CO. (US) | 1987-04-28 | — | — | US | disclosed |