Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.39 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12818233 | 0.86 | PDE3B (0.42) | NPC1CYP2C9PKMTDP1PDE3B | |
| SCHEMBL12818601 | 0.83 | PDE3B (0.49) | NPC1CYP2C9PKMTDP1PDE3B | |
| SCHEMBL12818991 | 0.80 | PKM (0.43) | NPC1CYP2C9PKMTDP1PDE3B | |
| SCHEMBL12818812 | 0.79 | CYP2C9 (0.43) | NPC1CYP2C9PKMPDE3BPDE3A | |
| SCHEMBL12817592 | 0.79 | PKM (0.44) | NPC1CYP2C9PKMTDP1PDE3B | |
| SCHEMBL12818102 | 0.79 | BRD4 (0.45) | CYP2C9PKMTDP1PDE3BPDE3A | |
| SCHEMBL12818620 | 0.78 | LMNA (0.42) | NPC1CYP2C9PKMMEN1KMT2A | |
| SCHEMBL12818687 | 0.78 | PKM (0.40) | NPC1CYP2C9PKMTDP1PDE3B | |
| SCHEMBL12818616 | 0.78 | PKM (0.40) | CYP2C9PKMTDP1PDE3BPDE3A | |
| SCHEMBL12818391 | 0.78 | PKM (0.43) | NPC1CYP2C9PKMTDP1PDE3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | disclosed |