Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 6,8-Dimethoxy-3,7-Dimethylisochroman SCHEMBL8479086 | 0.84 | ATM (0.41) | ALDH1A1GAASMN1; SMN2KDM4EATM | |
| SCHEMBL8486293 | 0.79 | POLB (0.39) | ALDH1A1GAASMN1; SMN2KDM4ETDP1 | |
| SCHEMBL8482498 | 0.78 | ALDH1A1 (0.40) | ALDH1A1GAASMN1; SMN2KDM4EATM | |
| SCHEMBL31644105 | 0.77 | ATM (0.50) | ALDH1A1GAASMN1; SMN2KDM4EATM | |
| SCHEMBL8480217 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GAASMN1; SMN2KDM4EATM | |
| SCHEMBL8483338 | 0.77 | PTGS2 (0.35) | ALDH1A1GAASMN1; SMN2ATMTDP1 | |
| SCHEMBL8485958 | 0.76 | MAOA (0.31) | MEN1KMT2AMAOA | |
| SCHEMBL8483898 | 0.75 | DRD1 (0.37) | ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL8485301 | 0.74 | ALDH1A1 (0.35) | ALDH1A1GAASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL8484366 | 0.74 | FASN (0.40) | ALDH1A1GAAKDM4EMEN1KMT2A |
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-5922889-A | REACTING 3,7-DIMETHYL-6,8-DIMETHOXYISOCHROMAN WITH SODIUM ETHYL THIOLATE OR SODIUM HYDRIDE TO PRODUCE 3,7-DIMETHYL-6-HYDROXY-8-METHOXYISOCHROMAN; POSSESS PHYTOTOXIC ACTIVITY USED AS A BIODEGRADABLE HERBICIDE | THE UNITED STATES OD AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1999-07-13 | — | — | US | claimed |
| US-5922889-A | REACTING 3,7-DIMETHYL-6,8-DIMETHOXYISOCHROMAN WITH SODIUM ETHYL THIOLATE OR SODIUM HYDRIDE TO PRODUCE 3,7-DIMETHYL-6-HYDROXY-8-METHOXYISOCHROMAN; POSSESS PHYTOTOXIC ACTIVITY USED AS A BIODEGRADABLE HERBICIDE | THE UNITED STATES OD AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1999-07-13 | — | — | US | disclosed |