Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | LCK | P06239 | 1/20 | 0.57 |
| ▸ | FYN | P06241 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3345975 | 0.75 | CYP1A2 (0.67) | CYP1A2ALDH1A1MAPTLCKFYN | |
| 3-Methylcholanthrene SCHEMBL29397062 | 0.73 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTLCKFYN | |
| 3-Methylcholanthrene SCHEMBL29444145 | 0.73 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTLCKFYN | |
| 3-Methylcholanthrene SCHEMBL156129 | 0.73 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTLCKFYN | |
| 3-Methylcholanthrene SCHEMBL27621124 | 0.72 | ALDH1A1 (0.97) | CYP1A2ALDH1A1MAPTLCKFYN | |
| 3-Methylcholanthrene SCHEMBL2958054 | 0.72 | ALDH1A1 (0.97) | CYP1A2ALDH1A1MAPTLCKFYN | |
| SCHEMBL30712558 | 0.68 | ALDH1A1 (0.53) | CYP1A2ALDH1A1MAPTLCKFYN | |
| SCHEMBL29093506 | 0.68 | ALDH1A1 (0.53) | CYP1A2ALDH1A1MAPTLCKFYN | |
| SCHEMBL5555424 | 0.63 | GPR84 (0.41) | CYP1A2ALDH1A1MAPTAHRCYP2A6 | |
| SCHEMBL1128910 | 0.63 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CYP2A6TSHRHPGD |
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 1 patent. 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 |