Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1939273 | 0.84 | ALDH1A1 (0.31) | ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL2154634 | 0.83 | MCL1 (0.41) | ALDH1A1TDP1ACHEKIF11MEN1 | |
| SCHEMBL2014607 | 0.79 | TNKS2 (0.39) | ALDH1A1ACHECA12CA9KDM4E | |
| SCHEMBL9004859 | 0.79 | ESR1 (0.46) | MEN1KMT2A | |
| SCHEMBL512419 | 0.79 | ALOX5 (0.42) | ALDH1A1CYP3A4KIF11MEN1KMT2A | |
| SCHEMBL27588635 | 0.78 | TDP1 (0.50) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| SCHEMBL694507 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HSD17B10DHFRMEN1MAPT | |
| SCHEMBL11099027 | 0.76 | ABL1 (0.52) | CYP3A4TP53ACHESMN1; SMN2CA12 | |
| SCHEMBL9812632 | 0.76 | EGFR (0.35) | TDP1TP53TAAR1TSHRSMN1; SMN2 | |
| SCHEMBL1205774 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1560809-B1 | CYCLOHEXYLUREA DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-22 | — | — | EP | claimed |
| EP-1560809-A1 | CYCLOHEXYLUREA DERIVATIVES | Grünenthal GmbH (DE) | 2005-08-10 | — | — | EP | claimed |
| WO-2004043909-A1 | CYCLOHEXYLUREA DERIVATIVES | Grünenthal GmbH (DE) | 2004-05-27 | — | — | WO | claimed |
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | claimed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | claimed |
| EP-1560809-B1 | CYCLOHEXYLUREA DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-22 | — | — | EP | disclosed |
| EP-1560809-A1 | CYCLOHEXYLUREA DERIVATIVES | Grünenthal GmbH (DE) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004043909-A1 | CYCLOHEXYLUREA DERIVATIVES | Grünenthal GmbH (DE) | 2004-05-27 | — | — | WO | disclosed |