Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | MAPT | P10636 | 6/20 | 1.00 |
| ▸ | HPGD | P15428 | 4/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 4/20 | 0.77 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | RECQL | P46063 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14028284 | 0.86 | ALDH1A1 (0.76) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL13856740 | 0.83 | ALDH1A1 (0.78) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL2332007 | 0.81 | HPGD (0.70) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL5803569 | 0.81 | HPGD (1.00) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL2334134 | 0.77 | MAPT (0.63) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL2328880 | 0.77 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL2332029 | 0.75 | MAPT (0.60) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL2707440 | 0.75 | HTT (0.71) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| Ononetin SCHEMBL2948430 | 0.74 | NPC1 (1.00) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| Ononetin SCHEMBL30203900 | 0.74 | NPC1 (1.00) | ALDH1A1MAPTHPGDKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006081658-A1 | IN SILICO SCREENING FOR SHBG BINDING LIGANDS VIA PHARMACOPHORE MODELS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2006-08-10 | — | — | WO | disclosed |