Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL428529 | 0.92 | CYP2A6 (0.47) | CA12CA2CA9MAOBMAOA | |
| SCHEMBL29700330 | 0.92 | CYP2A6 (0.47) | CA12CA2CA9MAOBMAOA | |
| Propionic Acid SCHEMBL27841948 | 0.88 | MAOA (0.47) | CA12CA2CA9MAOBMAOA | |
| SCHEMBL27612022 | 0.85 | MAOB (0.49) | CA12CA2CA9MAOBMAOA | |
| Ethoxycarbonyl Group SCHEMBL27813205 | 0.84 | CYP2A6 (0.41) | CA12CA2CA9MAOBMAOA | |
| SCHEMBL5329937 | 0.84 | RAB9A (0.43) | CA12CA2CA9MAOBMAOA | |
| SCHEMBL3799970 | 0.78 | MAPT (0.46) | MAOANPC1RAB9ASMN1; SMN2CYP2A6 | |
| SCHEMBL30469300 | 0.76 | DYRK1A (0.49) | CA12CA2MAOBNPC1RAB9A | |
| SCHEMBL20557631 | 0.76 | DYRK1A (0.49) | CA12CA2MAOBNPC1RAB9A | |
| SCHEMBL28207356 | 0.75 | HPGD (0.51) | RAB9ASMN1; SMN2ALDH1A1TDP1POLB |
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-102153531-B | Intermediate for preparing dronedarone and preparation method thereof | JIN CHUNHUA | 2013-05-22 | — | — | CN | disclosed |
| CN-102153531-A | Intermediate for preparing dronedarone and preparation method thereof | CHUNHUA JIN | 2011-08-17 | — | — | CN | disclosed |
| WO-2007140989-A2 | PROCESS FOR THE MANUFACTURE OF 2-BUTYL-3- (4-METHOXYBENZOYL) -5-NITROBENZOFURANE AND USE THEREOF IN THE PRODUCTION OF OF MEDICAMENTS | CAMBREX KARLSKOGA AB (SE) | 2007-12-13 | — | — | WO | disclosed |