Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA6 | P23280 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Trientine SCHEMBL29145946 | 0.89 | CA12 (0.58) | NFKB1TDP1CA12CA6CA7 | |
| 4-Aminophenol SCHEMBL11883129 | 0.81 | CA6 (0.56) | TDP1CA12CA6CA7CA9 | |
| Trientine SCHEMBL29145924 | 0.79 | ALOX15 (0.54) | TDP1CA12CA6CA7CA9 | |
| Trientine SCHEMBL29145930 | 0.79 | SIGMAR1 (0.62) | TDP1CA12CA6CA7CA9 | |
| Phenol SCHEMBL29145941 | 0.78 | CA12 (0.50) | TDP1CA12CA6CA7CA9 | |
| Phenol SCHEMBL27906283 | 0.78 | CA12 (0.50) | TDP1CA12CA6CA7CA9 | |
| Trientine SCHEMBL29145939 | 0.78 | CA12 (0.50) | TDP1CA12CA6CA7CA9 | |
| SCHEMBL6013974 | 0.78 | CA1 (0.50) | TDP1CA12CA6CA7CA9 | |
| SCHEMBL28989551 | 0.78 | APP (0.47) | TDP1CA12CA6CA7CA9 | |
| SCHEMBL29145936 | 0.78 | APP (0.47) | TDP1CA12CA6CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113577990-B | Method for trapping NO by utilizing polyamine-phenol proton functionalized ionic liquid | 盐城师范学院 | 2023-12-22 | — | — | CN | claimed |