Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | PLG | P00747 | 2/20 | 0.42 |
| ▸ | KLK1 | P06870 | 2/20 | 0.42 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11343595 | 0.80 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL9636450 | 0.77 | ALDH1A1 (0.57) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL11346040 | 0.74 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL11288797 | 0.72 | HSP90AB1 (0.64) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL487649 | 0.72 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL11343177 | 0.72 | CYP2C19 (0.38) | HSP90AA1HSP90AB1ALDH1A1GAACYP2D6 | |
| SCHEMBL11290726 | 0.72 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| Hydrochloric Acid SCHEMBL11345342 | 0.71 | CYP2C19 (0.37) | HSP90AA1HSP90AB1CYP2D6PLGKLK1 | |
| SCHEMBL18614004 | 0.70 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 | |
| SCHEMBL6581882 | 0.69 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ALDH1A1HPGDALOX15 |
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-4245099-A | ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1981-01-13 | — | — | US | disclosed |