Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | FYN | P06241 | 2/20 | 0.67 |
| ▸ | ACHE | P22303 | 2/20 | 0.67 |
| ▸ | AHR | P35869 | 2/20 | 0.67 |
| ▸ | LCK | P06239 | 1/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 3-Methylcholanthrene SCHEMBL29397062 | 0.80 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTFYNACHE | |
| 3-Methylcholanthrene SCHEMBL156129 | 0.80 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTFYNACHE | |
| 3-Methylcholanthrene SCHEMBL29444145 | 0.80 | ALDH1A1 (1.00) | CYP1A2ALDH1A1MAPTFYNACHE | |
| 3-Methylcholanthrene SCHEMBL27621124 | 0.79 | ALDH1A1 (0.97) | CYP1A2ALDH1A1MAPTFYNACHE | |
| 3-Methylcholanthrene SCHEMBL2958054 | 0.79 | ALDH1A1 (0.97) | CYP1A2ALDH1A1MAPTFYNACHE | |
| SCHEMBL3345967 | 0.75 | CYP1A2 (0.57) | CYP1A2ALDH1A1MAPTFYNACHE | |
| SCHEMBL4947995 | 0.69 | CYP1A2 (0.53) | CYP1A2ALDH1A1MAPTFYNACHE | |
| SCHEMBL30712558 | 0.69 | ALDH1A1 (0.53) | CYP1A2ALDH1A1MAPTFYNACHE | |
| SCHEMBL29093506 | 0.69 | ALDH1A1 (0.53) | CYP1A2ALDH1A1MAPTFYNACHE | |
| SCHEMBL25622486 | 0.67 | TRPM4 (0.59) | CYP1A2ALDH1A1MAPTFYNACHE |
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 |