Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1043879 | 0.87 | CYP3A4 (0.43) | CYP3A4TDP1TAAR1ESR1ESR2 | |
| SCHEMBL29502975 | 0.85 | — | — | |
| SCHEMBL4784 | 0.85 | — | — | |
| SCHEMBL11027874 | 0.83 | TAAR1 (0.50) | TAAR1ALDH1A1HPGDCTBP2CHRM2 | |
| SCHEMBL7268528 | 0.83 | TAAR1 (0.50) | TAAR1ALDH1A1HPGDCTBP2CHRM2 | |
| O-Xylene SCHEMBL5617302 | 0.78 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL2555255 | 0.78 | CYP3A4 (0.50) | CYP3A4TDP1TAAR1ESR1ESR2 | |
| SCHEMBL21931634 | 0.76 | ESR1 (0.48) | CYP3A4TDP1TAAR1ESR1ESR2 | |
| SCHEMBL7364761 | 0.76 | CYP3A4 (0.48) | CYP3A4TDP1TAAR1ESR1ESR2 | |
| Bromoethane SCHEMBL43961 | 0.75 | TDP1 (0.67) | CYP3A4TDP1ESR1ESR2ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3883925-A1 | CYCLIC UREAS | Sironax Ltd (KY) | 2021-09-29 | — | — | EP | disclosed |
| CN-113302183-A | Cyclic ureas | 圣瑞诺有限公司 | 2021-08-24 | — | — | CN | disclosed |
| EP-0934065-B1 | NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS | UNIV HAWAII (US) | 2006-06-07 | — | — | EP | disclosed |
| US-6680311-B1 | ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS | ELI LILLY AND COMPANY | 2004-01-20 | — | — | US | disclosed |
| US-6218431-B1 | GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES | BAYER CORPORATION | 2001-04-17 | — | — | US | disclosed |
| EP-0934065-A4 | PHARMACEUTICAL COMPOUNDS | LILLY CO ELI (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-0934065-A1 | PHARMACEUTICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0934274-A1 | SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS | Bayer Corporation (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998008505-A1 | PHARMACEUTICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1998004528-A2 | SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS | BAYER CORPORATION (US) | 1998-02-05 | — | — | WO | disclosed |