Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.87 |
| ▸ | CA9 | Q16790 | 10/20 | 0.68 |
| ▸ | CA12 | O43570 | 9/20 | 0.68 |
| ▸ | CA1 | P00915 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | CA4 | P22748 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | CA3 | P07451 | 1/20 | 0.68 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | CA6 | P23280 | 1/20 | 0.68 |
| ▸ | CA5A | P35218 | 1/20 | 0.68 |
| ▸ | CA7 | P43166 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.68 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1108372 | 0.93 | CYP2A6 (1.00) | CYP2A6CA9CA12CA1ALDH1A1 | |
| SCHEMBL23114201 | 0.82 | CYP2A6 (0.77) | CYP2A6CA9CA12CA1ALDH1A1 | |
| Herniarin SCHEMBL61221 | 0.81 | CA12 (1.00) | CYP2A6CA9CA12CA1ALDH1A1 | |
| Herniarin SCHEMBL29437733 | 0.81 | CA12 (1.00) | CYP2A6CA9CA12CA1ALDH1A1 | |
| Herniarin SCHEMBL17629468 | 0.81 | CA12 (1.00) | CYP2A6CA9CA12CA1ALDH1A1 | |
| Herniarin SCHEMBL16752507 | 0.81 | CA12 (0.84) | CYP2A6CA9CA12CA1ALDH1A1 | |
| SCHEMBL29001886 | 0.81 | CYP2A6 (0.76) | CYP2A6CA9CA12CA1ALDH1A1 | |
| SCHEMBL30450765 | 0.81 | CYP2A6 (0.76) | CYP2A6CA9CA12CA1ALDH1A1 | |
| SCHEMBL15711951 | 0.80 | CYP2A6 (0.65) | CYP2A6CA9CA12CA1ALDH1A1 | |
| Herniarin SCHEMBL17113785 | 0.80 | CA12 (0.96) | CYP2A6CA9CA12CA1ALDH1A1 |
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-104877057-A | Coumarin fragment-containing benzotriazole photosensitizer and synthesis and application thereof | UNIV CHONGQING | 2015-09-02 | — | — | CN | disclosed |