Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690156 | 0.83 | KCNH2 (0.42) | CYP1A2CYP2D6 | |
| SCHEMBL10691316 | 0.73 | CYP1A2 (0.82) | CYP1A2CYP2D6SIGMAR1POLBLTA4H | |
| SCHEMBL10690514 | 0.69 | SIGMAR1 (0.47) | CYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL8396062 | 0.68 | SIGMAR1 (0.51) | CYP1A2CYP2D6SIGMAR1POLBLTA4H | |
| SCHEMBL8728904 | 0.65 | HDAC1 (0.50) | SIGMAR1 | |
| SCHEMBL42714 | 0.63 | SIGMAR1 (0.75) | SIGMAR1POLBLTA4H | |
| SCHEMBL2962629 | 0.63 | SIGMAR1 (1.00) | SIGMAR1POLBLTA4H | |
| SCHEMBL6550825 | 0.63 | SIGMAR1 (1.00) | SIGMAR1POLBLTA4H | |
| SCHEMBL9806373 | 0.63 | HDAC1 (0.52) | — | |
| SCHEMBL13990186 | 0.63 | CYP1A2 (1.00) | CYP1A2CYP2D6SIGMAR1 |
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 |