Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 11/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28074378 | 0.81 | GAA (0.35) | NFE2L2ACHENPC1NFKB1RAB9A | |
| Naphthalene SCHEMBL29142822 | 0.81 | CYP2A6 (0.40) | LMNA | |
| Naphthalene SCHEMBL27769583 | 0.79 | CYP2A6 (0.38) | — | |
| Biphenyl SCHEMBL27625435 | 0.79 | NOTUM (0.44) | NPC1NFKB1RAB9ANFKB2RELA | |
| O-Xylene SCHEMBL29094736 | 0.77 | TSHR (0.46) | KDM4EACHENPC1RAB9ASMN1; SMN2 | |
| Benzene SCHEMBL27686656 | 0.77 | — | — | |
| SCHEMBL973070 | 0.77 | — | — | |
| SCHEMBL4303682 | 0.77 | — | — | |
| Benzenethiol SCHEMBL28357339 | 0.76 | — | — | |
| Quinoxaline SCHEMBL16429633 | 0.76 | ALDH1A1 (0.38) | KDM4ENPC1RAB9ASMN1; SMN2L3MBTL1 |
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-104370930-B | C H/C H oxidative coupling reaction based on rhodium catalysis efficiently prepares double hetero-aromatic ring the method for pyranone/cyclopentanone derivatives | 四川大学 | 2016-08-17 | — | — | CN | disclosed |