Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzofuran SCHEMBL27437267 | 0.89 | CYP2A6 (0.47) | CYP2A6MAOAMAOBFTOCA12 | |
| Benzofuran SCHEMBL28203046 | 0.89 | CYP2A6 (0.47) | CYP2A6MAOAMAOBFTOCA12 | |
| Benzofuran SCHEMBL28138699 | 0.89 | CYP2A6 (0.47) | CYP2A6MAOAMAOBFTOCA12 | |
| Benzofuran SCHEMBL3160534 | 0.88 | — | — | |
| Benzofuran SCHEMBL29393518 | 0.88 | — | — | |
| Benzofuran SCHEMBL5564 | 0.88 | — | — | |
| Benzofuran SCHEMBL5834531 | 0.88 | MAOA (0.46) | CYP2A6MAOAMAOBFTOCA12 | |
| Benzofuran SCHEMBL29415475 | 0.88 | — | — | |
| Benzofuran SCHEMBL23581379 | 0.86 | MAOA (0.46) | CYP2A6MAOAMAOBFTOCA12 | |
| Benzofuran SCHEMBL27880899 | 0.86 | MAOA (0.46) | CYP2A6MAOAMAOBFTOCA12 |
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-103936753-B | Natural products Daldinin and the like total synthesis method | 新乡医学院 | 2017-09-26 | — | — | CN | disclosed |