Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GLA | P06280 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| Pyrene SCHEMBL4521971 | 0.85 | KMT2A (0.41) | CYP1A2KMT2AMEN1HPGDALDH1A1 | |
| Anthracene SCHEMBL4530438 | 0.81 | POLB (0.43) | CYP1A2KMT2AMEN1HPGDALDH1A1 | |
| Anthracene SCHEMBL4516327 | 0.81 | POLB (0.43) | CYP1A2KMT2AMEN1HPGDALDH1A1 | |
| Glucuronate SCHEMBL8935076 | 0.77 | CYP1A2 (0.49) | CYP1A2KMT2AMEN1HPGDALDH1A1 | |
| Benzo[Def]Chrysene SCHEMBL28634641 | 0.74 | CYP1A2 (0.79) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL23414475 | 0.73 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL17114373 | 0.73 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL30358490 | 0.73 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL24019 | 0.73 | CYP1A2 (1.00) | CYP1A2ERBB2FYNMAOAACHE | |
| Benzo[Def]Chrysene SCHEMBL29826740 | 0.73 | CYP1A2 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7413853-B2 | Modulation of metabolism of steroids and xenobiotics | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2008-08-19 | — | — | US | disclosed |
| US-20040254135-A1 | Modulation of metabolism of steroids and xenobiotics | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES | 2004-12-16 | — | — | US | disclosed |
| WO-2003005812-A2 | MODULATION OF METABOLISM OF STEROIDS AND XENOBIOTICS | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2003-01-23 | — | — | WO | disclosed |