Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7464802 | 0.87 | ESR1 (0.52) | ESR1ESR2ABHD6KDM4ETAAR1 | |
| SCHEMBL7786861 | 0.78 | ESR1 (0.53) | ESR1ESR2ABHD6PIK3CAHSP90AA1 | |
| SCHEMBL1367873 | 0.77 | NOTUM (0.55) | ESR1ESR2ABHD6TAAR1HSP90AA1 | |
| SCHEMBL31277017 | 0.77 | NOTUM (0.55) | ESR1ESR2ABHD6TAAR1HSP90AA1 | |
| SCHEMBL7529328 | 0.74 | CYP3A4 (0.46) | ESR1ESR2ABHD6GAA | |
| SCHEMBL7518323 | 0.74 | ESR1 (0.36) | ESR1ESR2ABHD6PIK3CAHSP90AA1 | |
| SCHEMBL25825897 | 0.74 | ABHD6 (0.47) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 | |
| SCHEMBL7524427 | 0.73 | ESR1 (0.44) | ESR1ESR2ABHD6NOTUM | |
| SCHEMBL7521814 | 0.73 | HPGD (0.38) | ESR1ESR2ALDH1A1GAAMAPT | |
| SCHEMBL7789796 | 0.73 | ESR1 (0.38) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 |
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-6251890-B1 | TREATING OR PREVENTING BACTERIAL INFECTIONS IN MAMMALIAN PATIENTS | MERCK & CO., INC. | 2001-06-26 | — | — | US | disclosed |