Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10970188 | 1.00 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| SCHEMBL10969469 | 0.83 | CYP2C19 (0.33) | — | |
| SCHEMBL10969488 | 0.83 | CYP2C19 (0.33) | — | |
| SCHEMBL11012533 | 0.70 | NOS3 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL29557776 | 0.67 | CYP11B2 (0.58) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| Isomiosamine SCHEMBL24979951 | 0.65 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| Isomiosamine SCHEMBL18003636 | 0.65 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| Isomiosamine SCHEMBL30215730 | 0.65 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| SCHEMBL17779530 | 0.65 | CHRNB2 (0.71) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 | |
| SCHEMBL25201588 | 0.63 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNA7CYP2A6CYP11B2 |
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-0077298-B1 | PROCESS FOR MAKING SUBSTITUTED 1,11-DIAMINOUNDECANES | CIBA-GEIGY AG (CH) | 1985-06-19 | — | — | EP | disclosed |
| US-4506099-A | Process for producing substituted 1,11-diaminoundecanes | CIBA-GEIGY CORPORATION (US) | 1985-03-19 | — | — | US | disclosed |
| EP-0077298-A2 | Process for making substituted 1,11-diaminoundecanes | CIBA-GEIGY AG (CH) | 1983-04-20 | — | — | EP | disclosed |