Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1165366 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL14100030 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL1133814 | 0.88 | — | — | |
| SCHEMBL13223389 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL7744888 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL24220960 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL3967181 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL29299508 | 0.88 | SLC6A9 (0.40) | HRH3KCNH2CYP2D6KMT2ASLC6A9 | |
| SCHEMBL3412779 | 0.86 | HRH3 (0.48) | HRH3KCNH2CYP2D6CHRM1KDM4E | |
| Propane SCHEMBL11849460 | 0.81 | KDM4E (0.39) | CHRM1KMT2ASLC6A9RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6288224-B1 | Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates | NYCOMED SALUTAR, INC. | 2001-09-11 | — | — | US | disclosed |
| US-6048979-A | CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES | NYCOMED SALUTAR, INC. (US) | 2000-04-11 | — | — | US | disclosed |