Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8484264 | 0.91 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL2967279 | 0.84 | ADRA2A (0.34) | TDP1L3MBTL1PARP1PARP10TYMS | |
| SCHEMBL30345337 | 0.79 | NPC1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL5778347 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL4778415 | 0.77 | KDM4E (0.55) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7513554 | 0.76 | KDM4E (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL31173460 | 0.76 | KDM4E (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL29405492 | 0.75 | MAOA (0.50) | KDM4ETDP1L3MBTL1PARP1PARP10 | |
| SCHEMBL1009165 | 0.75 | MAOA (0.50) | KDM4ETDP1L3MBTL1PARP1PARP10 | |
| SCHEMBL4103388 | 0.72 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1276722-B1 | NAPHTHAMIDINE UROKINASE INHIBITORS | ABBOTT LAB (US) | 2006-03-08 | — | — | EP | disclosed |
| US-6504031-B1 | Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents | ABBOTT LABORATORIES | 2003-01-07 | — | — | US | disclosed |
| US-6495562-B1 | SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE | ABBOTT LABORATORIES | 2002-12-17 | — | — | US | disclosed |