Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4768407 | 0.95 | TSHR (0.52) | CYP2D6CYP1A2CYP3A4USP2CLK4 | |
| Hydrochloric Acid SCHEMBL4764011 | 0.94 | TSHR (0.51) | CYP2D6CYP1A2CYP3A4USP2CLK4 | |
| SCHEMBL4763566 | 0.90 | HRH3 (0.48) | CYP1A2LMNAALDH1A1CYP2C19HPGD | |
| Hydrochloric Acid SCHEMBL4770729 | 0.89 | HRH3 (0.47) | CYP1A2TSHRLMNAALDH1A1CYP2C19 | |
| SCHEMBL4774077 | 0.88 | SMN1; SMN2 (0.46) | CYP2D6CYP1A2CYP3A4USP2CLK4 | |
| Hydrochloric Acid SCHEMBL4768944 | 0.87 | SMN1; SMN2 (0.45) | CYP2D6CYP1A2CYP3A4USP2CLK4 | |
| SCHEMBL4768596 | 0.86 | SMN1; SMN2 (0.46) | LMNAMAPTKMT2ASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL4766731 | 0.85 | KMT2A (0.45) | LMNAALDH1A1HPGDMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL6288704 | 0.85 | KMT2A (0.45) | LMNAALDH1A1HPGDMAPTKMT2A | |
| SCHEMBL4767067 | 0.85 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4USP2CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6875761-B2 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |