Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4238279 | 0.92 | CYP1A2 (0.52) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL11587475 | 0.79 | CYP1A2 (0.52) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL9446598 | 0.79 | ALDH1A1 (0.48) | CYP1A2CYP2A6TDP1MAPTALDH1A1 | |
| Catechol SCHEMBL466615 | 0.77 | HPGD (0.48) | ALOX5CA2CA1CA9TDP1 | |
| SCHEMBL11335924 | 0.77 | ESR1 (0.57) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL10946372 | 0.76 | AGXT (0.48) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL27619363 | 0.75 | CYP2A6 (0.52) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL3960261 | 0.74 | CYP2A6 (0.56) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL28167104 | 0.73 | CYP1A2 (0.45) | ALOX5CYP1A2CYP2A6CA2CA1 | |
| SCHEMBL10946368 | 0.71 | CYP2A6 (0.52) | ALOX5CYP1A2CYP2A6CA2CA1 |
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-4495320-A | 3,6-Di-t-butyl-2-naphthyl catechol phosphite and compositions thereof | THE B. F. GOODRICH COMPANY (US) | 1985-01-22 | — | — | US | disclosed |