Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18320865 | 1.00 | CES2 (0.67) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL28428039 | 0.84 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL4008579 | 0.84 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL4008578 | 0.84 | CES2 (0.61) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL9396296 | 0.82 | CES2 (0.62) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL27323920 | 0.82 | CES2 (0.63) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL2156482 | 0.81 | CES2 (1.00) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL29610859 | 0.81 | CES2 (1.00) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL30872972 | 0.80 | CES2 (0.62) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL2682408 | 0.80 | CES2 (0.81) | CES2CES1PARP1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016202808-A2 | NEW SYNTHESIS OF TAPENTADOL-HCl INTERMEDIATES | AZAD PHARMACEUTICAL INGREDIENTS AG (CH) | 2016-12-22 | — | — | WO | claimed |
| WO-2016202808-A2 | NEW SYNTHESIS OF TAPENTADOL-HCl INTERMEDIATES | AZAD PHARMACEUTICAL INGREDIENTS AG (CH) | 2016-12-22 | — | — | WO | disclosed |