Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6736714 | 0.91 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL6737316 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL6737463 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL16372684 | 0.73 | HTR1A (0.54) | ALDH1A1KDM4EHTR1ALMNAL3MBTL1 | |
| Triethylene Glycol SCHEMBL28343116 | 0.72 | CYP3A4 (0.75) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8786921 | 0.71 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL8787656 | 0.70 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL9131061 | 0.67 | TSHR (0.56) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL28272813 | 0.67 | CYP3A4 (0.75) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E | |
| SCHEMBL27958092 | 0.66 | CYP3A4 (0.47) | ALDH1A1HSD17B10TSHRCYP3A4KDM4E |
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-7368564-B2 | Bridged macrocyclic module compositions | COVALENT PARTNERS, LLC (US) | 2008-05-06 | — | — | US | disclosed |