Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789910 | 0.87 | ESR1 (0.43) | ESR1ESR2KDM4ETAAR1ABHD6 | |
| Hydrochloric Acid SCHEMBL8384089 | 0.82 | KDM4E (0.45) | KDM4ETAAR1TMPRSS2HPGD | |
| SCHEMBL566389 | 0.76 | ESR1 (0.68) | ESR1ESR2TAAR1ABHD6RIPK1 | |
| SCHEMBL30263783 | 0.76 | ESR1 (0.68) | ESR1ESR2TAAR1ABHD6RIPK1 | |
| SCHEMBL23553488 | 0.76 | ESR1 (0.52) | ESR1ESR2ABHD6 | |
| SCHEMBL7637893 | 0.76 | ESR1 (0.56) | ESR1ESR2ABHD6PKM | |
| SCHEMBL8177222 | 0.76 | ESR1 (0.56) | ESR1ESR2ABHD6PKMRIPK1 | |
| SCHEMBL30814383 | 0.76 | ESR1 (0.52) | ESR1ESR2ABHD6 | |
| SCHEMBL7462013 | 0.75 | ESR1 (0.46) | ESR1ESR2ABHD6PKMRIPK1 | |
| SCHEMBL7641094 | 0.75 | ABHD6 (0.52) | ESR1ESR2ABHD6PKMRIPK1 |
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 6 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 |
| EP-1133477-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-19 | — | — | EP | disclosed |
| US-6251890-B1 | TREATING OR PREVENTING BACTERIAL INFECTIONS IN MAMMALIAN PATIENTS | MERCK & CO., INC. | 2001-06-26 | — | — | US | disclosed |
| WO-2000032579-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-08 | — | — | WO | 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 |