Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAL | P20701 | 2/20 | 1.00 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.30 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1776910 | 1.00 | ITGAL (1.00) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1776908 | 1.00 | ITGAL (1.00) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1776907 | 1.00 | ITGAL (1.00) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1777812 | 0.98 | ITGAL (0.95) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1777810 | 0.98 | ITGAL (0.95) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1777813 | 0.98 | ITGAL (0.95) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1778590 | 0.97 | ITGAL (0.94) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1778586 | 0.97 | ITGAL (0.94) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1778591 | 0.97 | ITGAL (0.94) | ITGALHTTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1775828 | 0.95 | ITGAL (1.00) | ITGALPDE1CGAACTSLCTSB |
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-1951665-A1 | NOVEL INHIBITORS OF THE LFA-1/ICAM-1 INTERACTION, AND USES THEREOF | Dominion Pharmakine S.L. (ES) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007054128-A1 | NOVEL INHIBITORS OF THE LFA-1/ICAM-1 INTERACTION, AND USES THEREOF | DOMINION PHARMAKINE S.L. (ES) | 2007-05-18 | — | — | WO | disclosed |