Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 13/20 | 0.48 |
| ▸ | RAC1 | P63000 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TRPC5 | Q9UL62 | 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 | |
|---|---|---|---|---|
| SCHEMBL13070786 | 0.88 | COL1A1 (0.45) | P2RX7RAC1CYP1B1ACHEMAOB | |
| SCHEMBL13070792 | 0.87 | KDM1A (0.49) | P2RX7RAC1CYP1B1ACHEMAOB | |
| SCHEMBL298694 | 0.86 | P2RX7 (0.66) | P2RX7CYP1B1ACHEKDM1ACYP3A4 | |
| SCHEMBL13070373 | 0.78 | P2RX7 (0.74) | P2RX7RAC1CYP1B1ACHEMAOB | |
| SCHEMBL298485 | 0.76 | P2RX7 (0.55) | P2RX7CYP1B1ACHEKDM1ACYP3A4 | |
| SCHEMBL13070312 | 0.76 | RAC1 (0.60) | RAC1CYP1B1ACHEMAOBKDM1A | |
| SCHEMBL298971 | 0.74 | P2RX7 (0.55) | P2RX7CYP1B1ACHEKDM1ACYP3A4 | |
| SCHEMBL13070517 | 0.70 | BCHE (0.44) | P2RX7RAC1CYP1B1ACHEMAOB | |
| SCHEMBL14513596 | 0.68 | P2RX7 (0.84) | P2RX7KDM1A | |
| SCHEMBL13071078 | 0.68 | KDM1A (0.81) | P2RX7RAC1CYP1B1ACHEMAOB |
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-2010128061-A1 | NOVEL ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |