Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8488897 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL8484781 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL28100052 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1SMN1; SMN2HTT | |
| SCHEMBL8485438 | 0.64 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA2CA14 | |
| SCHEMBL21789221 | 0.64 | ADH1C (0.39) | CA12CA1CA2CA14TDP1 | |
| SCHEMBL14229362 | 0.63 | CA1 (0.46) | ALDH1A1CA12CA1CA2CA14 | |
| SCHEMBL16090593 | 0.61 | MEN1 (0.42) | ALDH1A1CA12CA1CA2CA14 | |
| Propylene Oxide SCHEMBL29210787 | 0.61 | HTT (0.41) | ALDH1A1CA12CA1TDP1KCNH2 | |
| SCHEMBL2797895 | 0.60 | ALDH1A1 (0.46) | ALDH1A1CA12CA1TDP1SMN1; SMN2 | |
| SCHEMBL1030162 | 0.60 | HTT (0.47) | ALDH1A1CA12CA1TDP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5919431-A | 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |