Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | DNM2 | P50570 | 4/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27610181 | 0.96 | ATM (0.61) | ATMTLR8HCAR3DNM2HRH4 | |
| SCHEMBL5098249 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL14743836 | 0.76 | — | — | |
| SCHEMBL146803 | 0.75 | — | — | |
| SCHEMBL5834062 | 0.73 | ATM (0.39) | ATMTLR8NPC1RAB9A | |
| SCHEMBL15773028 | 0.71 | ATM (0.62) | ATMNPC1RAB9A | |
| SCHEMBL516003 | 0.71 | TLR8 (0.51) | TLR8HCAR3DNM2SOAT1KCNH3 | |
| SCHEMBL5803747 | 0.70 | — | — | |
| SCHEMBL10802281 | 0.69 | — | — | |
| SCHEMBL21790451 | 0.69 | ATM (0.45) | ATMTLR8HCAR3CYP2D6NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993009132-A1 | HIV PROTEASE INHIBITORS CONTAINING GUANIDINE | SMITHKLINE BEECHAM CORPORATION (US) | 1993-05-13 | — | — | WO | disclosed |
| EP-0114456-A2 | Acylated isoxazolyl ureas, their preparation, herbicidal formulations containing the same, and a herbicidal method | SHIONOGI & CO., LTD. (JP) | 1984-08-01 | — | — | EP | disclosed |