Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14438139 | 0.86 | ACHE (0.60) | ACHEHRH4HRH3CHRNB2CHRNB4 | |
| SCHEMBL2455891 | 0.83 | HRH4 (0.48) | ACHEHRH4HRH3NPC1LMNA | |
| SCHEMBL25710489 | 0.83 | ACHE (0.58) | ACHEHRH4HRH3 | |
| SCHEMBL21359259 | 0.82 | ACHE (0.51) | ACHEHRH4HRH3NPC1LMNA | |
| SCHEMBL3400197 | 0.81 | ACHE (0.60) | ACHECHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7569673 | 0.81 | ACHE (0.81) | ACHE | |
| SCHEMBL3975468 | 0.81 | ACHE (0.88) | ACHE | |
| SCHEMBL10939707 | 0.81 | ACHE (0.81) | ACHE | |
| SCHEMBL14996209 | 0.81 | ACHE (0.64) | ACHEHRH3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21359173 | 0.81 | ACHE (0.50) | ACHEHRH4HRH3NPC1LMNA |
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-0355443-B1 | Cyclic process for the preparation of (cyclo)aliphatic diisocyanates | HUELS CHEMISCHE WERKE AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-5087739-A | CIRCULATION PROCESS FOR THE PRODUCTION OF ALIPHATIC AND CYCLOALIPHATIC DIISOCYANATES | HUELS AKTIENGESELLSCHAFT (DE) | 1992-02-11 | — | — | US | disclosed |
| EP-0355443-A2 | Cyclic process for the preparation of (cyclo)aliphatic diisocyanates | HÜLS AKTIENGESELLSCHAFT (DE) | 1990-02-28 | — | — | EP | disclosed |