Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6653204 | 0.81 | TSHR (0.33) | TSHR | |
| SCHEMBL5988117 | 0.72 | GRM1 (0.45) | ALDH1A1SLC1A2SLC1A1 | |
| SCHEMBL20042216 | 0.71 | SMN1; SMN2 (0.34) | SMN1; SMN2 | |
| SCHEMBL20042215 | 0.71 | SMN1; SMN2 (0.34) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5987774 | 0.71 | GRM1 (0.44) | ALDH1A1SLC1A2SLC1A1 | |
| SCHEMBL23495517 | 0.70 | NPC1 (0.32) | NPC1ALDH1A1 | |
| SCHEMBL20002011 | 0.70 | SLC22A2 (0.36) | NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21401948 | 0.70 | SLC22A2 (0.36) | NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2239665 | 0.70 | SLC22A2 (0.36) | NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL191884 | 0.69 | GRIN2D (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244822-B1 | BALSAMIC FRAGRANCE COMPOSITION AND PROCESS FOR PREPARATION | HENKEL CORPORATION (US) | 1991-03-06 | — | — | EP | disclosed |
| EP-0244822-A2 | Balsamic fragrance composition and process for preparation | HENKEL CORPORATION (US) | 1987-11-11 | — | — | EP | disclosed |
| US-4661285-A | FROM CAMPHENE, ETHYLHALOACETATE, AND DI-TERT-BUTYL PEROXIDE | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1987-04-28 | — | — | US | disclosed |