Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7850990 | 0.95 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL117901 | 0.95 | ALDH1A1 (0.50) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Ethylene SCHEMBL27501133 | 0.93 | ALDH1A1 (0.48) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Iodide SCHEMBL6554697 | 0.93 | ALDH1A1 (0.48) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Styrene SCHEMBL9849012 | 0.88 | ALDH1A1 (0.64) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Styrene SCHEMBL27756737 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL372391 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL1456820 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| Acrylonitrile SCHEMBL27815830 | 0.83 | MCL1 (0.42) | ALDH1A1TSHRAKR1C3AKR1C1ESR1 | |
| SCHEMBL28555738 | 0.82 | TP53 (0.53) | ALDH1A1TSHRCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102206466-A | Production method of styrene butadiene rubber adhesive | QUANYI DUAN | 2011-10-05 | — | — | CN | disclosed |
| CN-101268140-A | Highly elastic polyvinyl chloride composition and products prepared using the same | LG CHEMICAL LTD (KR) | 2008-09-17 | — | — | CN | disclosed |