Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | CCR8 | P51685 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FURIN | P09958 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL31734268 | 0.83 | KDM4E (0.44) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL435144 | 0.83 | KDM4E (0.44) | KDM4ELMNACCR1CCR5CCR8 | |
| Pyridine SCHEMBL29143197 | 0.81 | KDM4E (0.35) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL670301 | 0.81 | KDM4E (0.42) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL19435589 | 0.79 | KDM4E (0.41) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL10416676 | 0.79 | NOS3 (0.43) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL29944969 | 0.79 | CES2 (0.43) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL6502675 | 0.79 | KDM4E (0.41) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL11121873 | 0.79 | NOS3 (0.43) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL2523378 | 0.79 | CES2 (0.43) | KDM4ELMNACCR1CCR5CCR8 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169907-B2 | Derivatives, immunogens, and antibodies for detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2007-01-30 | — | — | US | disclosed |
| US-7101980-B2 | Derivatives, conjugates, and antibodies for detecting ecstasy-class analytes | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| EP-1498428-A1 | Antibodies for detecting ecstasy-class analytes | Roche Diagnostics GmbH (DE) | 2005-01-19 | — | — | EP | disclosed |
| US-20040077021-A1 | Derivatives, conjugates, and antibodies for detecting ecstasy-class analytes | ROCHE DIAGNOSTICS CORPORATION | 2004-04-22 | — | — | US | disclosed |
| US-20030175995-A1 | Compounds, antibodies, reagent kits, methods of producing antibodies, and methods of detecting analytes | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2003-09-18 | — | — | US | disclosed |
| US-20030170917-A1 | Compounds, antibodies, reagent kits, methods of producing antibodies, and methods of detecting analytes | ROCHE DIAGNOSTICS CORPORATION | 2003-09-11 | — | — | US | disclosed |
| EP-1340981-A2 | Antibodies for detecting amphetamine derivatives | Roche Diagnostics GmbH (DE) | 2003-09-03 | — | — | EP | disclosed |
| EP-1340980-A1 | Derivatives of amphetamine, antibodies against said derivatives, reagent kits, methods of producing said antibodies, and methods of detecting said derivatives | Roche Diagnostics GmbH (DE) | 2003-09-03 | — | — | EP | disclosed |
| US-6306979-B1 | Derivatized carbon monoxide copolymers | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-23 | — | — | US | disclosed |
| US-5719139-A | BACTERICIDES | ZENECA LIMITED (GB) | 1998-02-17 | — | — | US | disclosed |
| EP-0722945-A1 | 9-oxo-1-azabicyclo(5.2.0)non-2,3-diene-2-carboxylic acid derivatives as antibiotics | ZENECA LIMITED (GB) | 1996-07-24 | — | — | EP | disclosed |
| US-5490980-A | TRANSGLUTAMINASE CROSSLINKS PROTEINS BY CATALYZING THE ACTIVE INGREDIANTS TO GLUTAMINE RESIDUES | CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) | 1996-02-13 | — | — | US | disclosed |
| US-4643991-A | TREATMENT OF EMPHYSEMA | THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 1987-02-17 | — | — | US | disclosed |