Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RGS12 | O14924 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3123070 | 0.83 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10 | |
| SCHEMBL29933468 | 0.80 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17001112 | 0.76 | ESR1 (0.48) | ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10 | |
| SCHEMBL11550227 | 0.75 | ALDH1A1 (0.63) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1116059 | 0.75 | ALDH1A1 (0.52) | CA12CA9ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL114319 | 0.74 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL55926 | 0.74 | SLC2A1 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2775215 | 0.74 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11421759 | 0.74 | ALDH1A1 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL180055 | 0.73 | ALDH1A1 (0.67) | CA12CA2CA9ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114752955-B | Method for electrochemically synthesizing N-nitroso-2-aminobenzophenone compound | 广西师范大学 | 2023-06-16 | — | — | CN | disclosed |
| CN-114752955-A | Method for electrochemically synthesizing N-nitroso-2-aminobenzophenone compound | 广西师范大学 | 2022-07-15 | — | — | CN | disclosed |
| US-4675445-A | Process for elimination N-nitrosamines from N-nitrosamine-containing compositions | BASF CORPORATION (US) | 1987-06-23 | — | — | US | disclosed |