Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| 4-Vinylphenol SCHEMBL29130680 | 0.88 | CA12 (0.35) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL7702861 | 0.87 | ELANE (0.41) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL8516846 | 0.85 | CHRNB2 (0.38) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL8102577 | 0.84 | LMNA (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23558764 | 0.83 | KMT2A (0.42) | ALDH1A1TAS1R3TAS1R1 | |
| 4-Vinylphenol SCHEMBL8094476 | 0.83 | NR1H4 (0.33) | ABCG2MAOBLMNAMIF | |
| SCHEMBL6843705 | 0.83 | ELANE (0.38) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL6903536 | 0.82 | MIF (0.47) | ESR1CA12CA1CA2CA7 | |
| 4-Vinylphenol SCHEMBL6680064 | 0.82 | CA12 (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6551223 | 0.81 | ABCG2 (0.38) | CA12CA1CA2CA7CA9 |
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-20040260031-A1 | Preparation of polymer and resist composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-12-23 | — | — | US | disclosed |