Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.35 |
| ▸ | KLK3 | P07288 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12818912 | 0.89 | PIK3CA (0.42) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818485 | 0.87 | PDE3B (0.39) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818721 | 0.87 | CYP2C9 (0.40) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818506 | 0.85 | CYP2C9 (0.42) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818620 | 0.84 | LMNA (0.42) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818304 | 0.82 | PKM (0.43) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818134 | 0.80 | CYP2C9 (0.40) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818063 | 0.79 | NPC1 (0.42) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12818990 | 0.78 | CYP2C9 (0.38) | CYP2C9NPC1KMT2AMEN1MAPT | |
| SCHEMBL12817618 | 0.75 | MEN1 (0.41) | CYP2C9NPC1KMT2AMEN1MAPT |
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-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | claimed |
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | disclosed |