Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3254780 | 0.92 | NPC1 (0.46) | NPC1GABRA1GABRB2KDM4EGLA | |
| SCHEMBL3252757 | 0.88 | NPC1 (0.51) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3249649 | 0.87 | JAK2 (0.50) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3250598 | 0.86 | JAK2 (0.50) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3249647 | 0.85 | CHEK1 (0.37) | NPC1ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL3247723 | 0.84 | FASN (0.42) | CYP1A2HSD17B10CSF1R | |
| SCHEMBL3252056 | 0.84 | NPC1 (0.43) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3255435 | 0.84 | GABRA1 (0.45) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3250086 | 0.83 | JAK2 (0.52) | NPC1GABRA1GABRB2KDM4EGABRB1 | |
| SCHEMBL3247669 | 0.83 | JAK2 (0.48) | NPC1GABRA1GABRB2KDM4EGABRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899335-B1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PF MEDICAMENT (FR) | 2010-05-19 | — | — | EP | claimed |
| US-8426437-B2 | Pyrroloquinoline derivatives and their use as protein kinases inhibitors | PIERRE FABRE MEDICAMENT (FR) | 2013-04-23 | — | — | US | disclosed |