Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7789796 | 0.81 | ESR1 (0.38) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 | |
| SCHEMBL29972841 | 0.80 | ESR1 (0.34) | ESR1ESR2ABHD6 | |
| SCHEMBL7521223 | 0.79 | HPGD (0.34) | ESR1ESR2HSP90AA1HPGD | |
| SCHEMBL7529328 | 0.76 | CYP3A4 (0.46) | ESR1ESR2ABHD6HPGD | |
| SCHEMBL7786861 | 0.76 | ESR1 (0.53) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 | |
| SCHEMBL7789910 | 0.74 | ESR1 (0.43) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 | |
| SCHEMBL7462013 | 0.73 | ESR1 (0.46) | ESR1ESR2ABHD6PKMSMN1; SMN2 | |
| SCHEMBL7523701 | 0.72 | POLB (0.32) | ESR1ESR2PKMSLC6A9 | |
| SCHEMBL7526887 | 0.70 | ALDH1A1 (0.34) | ESR1ESR2HSP90AA1HPGDSMN1; SMN2 | |
| SCHEMBL7522643 | 0.70 | ALDH1A1 (0.34) | ESR1ESR2HPGDPKMSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1003747-A4 | CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE | MERCK & CO INC (US) | 2002-11-06 | — | — | EP | disclosed |
| US-6251890-B1 | TREATING OR PREVENTING BACTERIAL INFECTIONS IN MAMMALIAN PATIENTS | MERCK & CO., INC. | 2001-06-26 | — | — | US | disclosed |
| EP-1003747-A1 | CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999009032-A1 | CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE | MERCK & CO., INC. (US) | 1999-02-25 | — | — | WO | disclosed |