Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.53 |
| ▸ | SMPD3 | Q9NY59 | 5/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2387920 | 0.83 | CHEK1 (0.43) | MTORCHEK1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL28009413 | 0.78 | TLR8 (0.44) | MTORCHEK1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL18806853 | 0.77 | CYP2C9 (0.57) | MTORCHEK1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL5030552 | 0.72 | CA12 (0.56) | SMPD3ERN1 | |
| SCHEMBL12427182 | 0.71 | NPC1 (0.49) | CHEK1CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL20665389 | 0.71 | CYP2E1 (0.36) | MTORCHEK1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL10985144 | 0.71 | CYP2E1 (0.51) | CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19 | |
| Hydrochloric Acid SCHEMBL30939711 | 0.70 | NPC1 (0.47) | CHEK1CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27927790 | 0.70 | CYP2C9 (0.50) | MTORCHEK1CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL27539112 | 0.69 | ERN1 (0.74) | MTORSMPD3APPERN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |