Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10946368 | 0.83 | CYP2A6 (0.52) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL4238279 | 0.83 | CYP1A2 (0.52) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL11587475 | 0.83 | CYP1A2 (0.52) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL3960261 | 0.78 | CYP2A6 (0.56) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL3862133 | 0.77 | ALDH1A1 (0.31) | TDP1KMT2AMEN1ALDH1A1CYP3A4 | |
| Catechol SCHEMBL10934697 | 0.76 | ALOX5 (0.50) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL28167104 | 0.76 | CYP1A2 (0.45) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL21548080 | 0.75 | LTA4H (0.41) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL8397144 | 0.74 | CYP2A6 (0.52) | AGXTCYP1A2CYP2A6CA1CA2 | |
| SCHEMBL27619363 | 0.74 | CYP2A6 (0.52) | AGXTCYP1A2CYP2A6CA1CA2 |
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-4501684-A | STABILIZERS FOR POLYMERS | THE B. F. GOODRICH COMPANY (US) | 1985-02-26 | — | — | US | claimed |
| US-4501684-A | STABILIZERS FOR POLYMERS | THE B. F. GOODRICH COMPANY (US) | 1985-02-26 | — | — | US | disclosed |