Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3565081 | 0.72 | MAPK1 (0.39) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL1315107 | 0.71 | TSHR (0.46) | ADRA1ATDP1MAPK1MAPTL3MBTL1 | |
| SCHEMBL9654512 | 0.69 | LTA4H (0.45) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL4898090 | 0.69 | LTA4H (0.45) | HTR1ATDP1MAPK1MAPTL3MBTL1 | |
| SCHEMBL4891121 | 0.69 | ALDH1A1 (0.55) | TDP1MAPK1MAPTL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL9683438 | 0.68 | LTA4H (0.44) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL15922822 | 0.68 | HTR1A (0.65) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL17535634 | 0.68 | AOC3 (0.41) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL4684239 | 0.67 | MGAM (0.44) | HTR1AADRA1DADRA1AADRA1BTDP1 | |
| SCHEMBL7595261 | 0.67 | HTR1A (0.53) | HTR1AADRA1DADRA1AADRA1BTDP1 |
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-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |