Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9259535 | 0.90 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL11099147 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL8849551 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL31561763 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL7602618 | 0.78 | SRC (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL29093880 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL305506 | 0.77 | SRC (0.54) | HTTLMNAKDM4ESRC | |
| SCHEMBL11053438 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL5850338 | 0.75 | MEN1 (0.59) | CYP1A2CYP2C9CYP2C19HTTLMNA | |
| Water SCHEMBL11564756 | 0.75 | SRC (0.52) | HTTLMNAKDM4ESRC |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618934-A | Boronic acid compound | MERCK & CO., INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0669921-A4 | PREPARATION OF 2-ARYL CARBAPENEMS VIA A BORONIC ACID COUPLING REACTION. | MERCK & CO INC (US) | 1996-02-07 | — | — | EP | disclosed |
| WO-1995031461-A1 | PREPARATION OF 2-ARYL CARBAPENEMS | MERCK & CO., INC. (US) | 1995-11-23 | — | — | WO | disclosed |
| EP-0669921-A1 | PREPARATION OF 2-ARYL CARBAPENEMS VIA A BORONIC ACID COUPLING REACTION | MERCK & CO. INC. (US) | 1995-09-06 | — | — | EP | disclosed |
| US-5442057-A | Preparation of 2-aryl carbapenems via a boronic acid coupling reaction | DECAMP ANN (US) | 1995-08-15 | — | — | US | disclosed |
| US-5442056-A | Preparation of 2-aryl carbapenems | MERCK & CO., INC. (US) | 1995-08-15 | — | — | US | disclosed |
| US-5338875-A | Boron containing intermediates useful in the preparation of carbapenems | MERCK & CO., INC. (US) | 1994-08-16 | — | — | US | disclosed |
| WO-1994011372-A1 | PREPARATION OF 2-ARYL CARBAPENEMS VIA A BORONIC ACID COUPLING REACTION | MERCK & CO., INC. (US) | 1994-05-26 | — | — | WO | disclosed |