Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6670237 | 1.00 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3343813 | 1.00 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL6735412 | 1.00 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28250000 | 0.87 | ERBB2 (0.32) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16744739 | 0.76 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3344060 | 0.76 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL6907351 | 0.76 | ALDH1A1 (0.38) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL6907348 | 0.76 | ALDH1A1 (0.38) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL2785557 | 0.76 | ALDH1A1 (0.38) | CYP1A2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL12643727 | 0.75 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE |
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-20100162416-A1 | Multi-stage stem cell carcinogenesis | STEMLIFELINE, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010037134-A2 | MULTI-STAGE STEM CELL CARCINOGENESIS | STEMLIFELINE, INC. (US) | 2010-04-01 | — | — | WO | disclosed |
| US-20040265807-A1 | Isolated polypeptide of given amino acid sequence; expression vectors, host cells, antibodies, agonists, and antagonists; assessing toxicity of test compound; use in diagnosing, treating, or preventing disorders associated with aberrant expression | INCYTE CORPORATION | 2004-12-30 | — | — | US | disclosed |
| US-20040054157-A1 | Oxidoreductases | INCYTE CORPORATION | 2004-03-18 | — | — | US | disclosed |
| US-6323325-B1 | Agents that bind to and inhibit human cytochrome P450 2A6 | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-11-27 | — | — | US | disclosed |
| WO-2000004861-A2 | AGENTS THAT BIND TO AND INHIBIT HUMAN CYTOCHROME P450 2A6 | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-02-03 | — | — | WO | disclosed |
| US-5358860-A | Using peroxide substrate as oxidant | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1994-10-25 | — | — | US | disclosed |
| US-4855512-A | DEHYDRATION OF 1,2-DIHYDROXY-3-FLUOROCYCLOHEXA-3,5-DIENE | SHELL OIL COMPANY (US) | 1989-08-08 | — | — | US | disclosed |