Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7930331 | 0.96 | CYP1A2 (0.36) | CYP1A2CYP2C9CYP2C19MCHR1ALDH1A1 | |
| SCHEMBL7937070 | 0.93 | ALDH1A1 (0.32) | CYP2A6ALDH1A1L3MBTL1 | |
| Syringol SCHEMBL7939335 | 0.88 | ALOX5 (0.36) | CYP1A2ALDH1A1 | |
| SCHEMBL7939360 | 0.84 | — | — | |
| SCHEMBL7938397 | 0.84 | — | — | |
| Syringol SCHEMBL7938380 | 0.80 | ALOX5 (0.32) | CYP1A2ALDH1A1 | |
| Phenol SCHEMBL7930338 | 0.78 | ORAI1 (0.32) | — | |
| SCHEMBL4652631 | 0.77 | — | — | |
| SCHEMBL3842777 | 0.77 | — | — | |
| Fluoride Ion SCHEMBL1130833 | 0.77 | — | — |
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-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | disclosed |