Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13990186 | 0.90 | CYP1A2 (1.00) | CYP1A2CYP2D6SIGMAR1DRD4HTR1D | |
| SCHEMBL23121057 | 0.86 | CYP1A2 (0.70) | CYP1A2CYP2D6DRD4HTR1DHTR1B | |
| SCHEMBL10690989 | 0.84 | CYP1A2 (0.67) | CYP1A2CYP2D6DRD4HTR1DHTR1B | |
| SCHEMBL11190221 | 0.83 | CYP1A2 (0.74) | CYP1A2CYP2D6SIGMAR1DRD4HTR1D | |
| SCHEMBL17965485 | 0.83 | CYP1A2 (0.74) | CYP1A2CYP2D6DRD4HTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL251996 | 0.81 | CYP1A2 (0.72) | CYP1A2CYP2D6DRD4HTR1DHTR1B | |
| SCHEMBL11135471 | 0.80 | CYP1A2 (0.71) | CYP1A2CYP2D6SIGMAR1DRD4HTR1D | |
| SCHEMBL28160686 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2D6DRD4HTR1DHTR1B | |
| SCHEMBL2514598 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP2D6HTR1D | |
| SCHEMBL8396062 | 0.73 | SIGMAR1 (0.51) | CYP1A2CYP2D6SIGMAR1LTA4HPOLB |
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 |