Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5034583 | 0.94 | CYP2A6 (0.52) | CYP1A2CYP2A6AKR1C3AKR1C2TRPA1 | |
| SCHEMBL29870674 | 0.83 | CES2 (0.41) | CYP2A6PLAUF2PLGKLKB1 | |
| SCHEMBL5083315 | 0.83 | CES2 (0.41) | CYP2A6PLAUF2PLGKLKB1 | |
| SCHEMBL6803029 | 0.81 | CYP2A6 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2PLAU | |
| SCHEMBL18905513 | 0.80 | GRIN2D (0.41) | CYP1A2CYP2A6PLAUSMN1; SMN2GRIN2D | |
| SCHEMBL1362104 | 0.79 | ALDH1A1 (0.54) | CYP2A6TRPA1PLAUALDH1A1SMN1; SMN2 | |
| SCHEMBL29407167 | 0.78 | CYP2A6 (0.80) | CYP1A2CYP2A6AKR1C3AKR1C2TRPA1 | |
| SCHEMBL347592 | 0.78 | CYP2A6 (0.80) | CYP1A2CYP2A6AKR1C3AKR1C2TRPA1 | |
| SCHEMBL5558051 | 0.77 | ALDH1A1 (0.64) | CYP1A2CYP2A6AKR1C3AKR1C2PLAU | |
| SCHEMBL30226717 | 0.77 | CYP2A6 (0.48) | CYP1A2CYP2A6PLAUF2PLG |
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 |
|---|---|---|---|---|---|---|---|
| US-7402645-B2 | Soluble polyfunctional vinyl aromatic polymer and method of producing the same | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20070155923-A1 | Soluble polyfunctional vinyl aromatic polymer and method of producing the same | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2007-07-05 | — | — | US | disclosed |