Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | 0.89 | ESR1 (0.38) | ESR1ESR2PKMRIPK1ABHD6 | |
| SCHEMBL7457498 | 0.82 | ESR1 (0.39) | ESR1ESR2PKMABHD6 | |
| SCHEMBL14599143 | 0.79 | ESR1 (0.45) | ESR1ESR2PKMABHD6PDK2 | |
| SCHEMBL7464802 | 0.75 | ESR1 (0.52) | ESR1ESR2PKMRIPK1ABHD6 | |
| SCHEMBL15400320 | 0.75 | ESR1 (0.52) | ESR1ESR2PKMABHD6HDAC8 | |
| SCHEMBL7518323 | 0.73 | ESR1 (0.36) | ESR1ESR2PKMABHD6SMN1; SMN2 | |
| SCHEMBL5695132 | 0.72 | ESR1 (0.43) | ESR1ESR2PKMRIPK1ABHD6 | |
| SCHEMBL3899179 | 0.72 | ESR1 (0.60) | ESR1ESR2ABHD6 | |
| SCHEMBL490066 | 0.72 | ESR1 (0.65) | ESR1ESR2PKMABHD6HDAC8 | |
| SCHEMBL6436222 | 0.72 | ESR2 (0.65) | ESR1ESR2PKMABHD6HDAC8 |
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 |