Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 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 | |
|---|---|---|---|---|
| SCHEMBL7521814 | 0.81 | HPGD (0.38) | ESR1ESR2TSHRHPGDGAA | |
| SCHEMBL7523701 | 0.79 | POLB (0.32) | ESR1ESR2POLB | |
| SCHEMBL7518323 | 0.76 | ESR1 (0.36) | ESR1ESR2HPGDABHD6 | |
| SCHEMBL7786861 | 0.76 | ESR1 (0.53) | ESR1ESR2ABHD6 | |
| SCHEMBL7789910 | 0.74 | ESR1 (0.43) | ESR1ESR2GAAABHD6 | |
| SCHEMBL7521223 | 0.72 | HPGD (0.34) | ESR1ESR2HPGDHRH4GAA | |
| SCHEMBL30336335 | 0.70 | ABHD6 (0.37) | ESR1ESR2HPGDABHD6 | |
| SCHEMBL7522643 | 0.70 | ALDH1A1 (0.34) | ESR1ESR2POLBHPGDHRH4 | |
| SCHEMBL7526887 | 0.70 | ALDH1A1 (0.34) | ESR1ESR2POLBHPGDHRH4 | |
| SCHEMBL1367873 | 0.69 | NOTUM (0.55) | ESR1ESR2CNR2ABHD6 |
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 |