Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 2/20 | 0.69 |
| ▸ | MAOA | P21397 | 9/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30476189 | 0.88 | ALDH1A1 (0.76) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL2012858 | 0.88 | ALDH1A1 (0.76) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL28793581 | 0.86 | MAOA (0.64) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL1987428 | 0.85 | MAOA (0.62) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL29031918 | 0.83 | MAOA (0.60) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL3382929 | 0.82 | MAOA (0.61) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL11798282 | 0.81 | MAOA (0.57) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL3430609 | 0.81 | MAOA (0.57) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| SCHEMBL1321188 | 0.80 | MAOA (0.59) | ALDH1A1GLAMAOAKDM4ECYP3A4 | |
| Methanesulfonamide SCHEMBL4789997 | 0.80 | ALDH1A1 (0.64) | ALDH1A1GLAMAOAKDM4ECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090247420-A1 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | NATIONAL SCIENCE FOUNDATION | 2009-10-01 | — | — | US | disclosed |
| WO-2007070761-A2 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) | 2007-06-21 | — | — | WO | disclosed |
| US-3957986-A | Antiviral compositions containing bis-basic esters and amides of xanthene and xanthone | RICHARDSON-MERRELL INC. (US) | 1976-05-18 | — | — | US | disclosed |