Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 7/20 | 0.32 |
| ▸ | RARA | P10276 | 6/20 | 0.32 |
| ▸ | RARB | P10826 | 6/20 | 0.32 |
| ▸ | RARG | P13631 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | RXRB | P28702 | 4/20 | 0.32 |
| ▸ | RXRG | P48443 | 4/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959984 | 0.85 | CYP1A2 (0.43) | CYP1A2HAO1ALDH1A1GRIK1GRIK2 | |
| SCHEMBL4464355 | 0.85 | CYP1A2 (0.40) | CYP1A2HAO1ALDH1A1TDP1GRIK1 | |
| SCHEMBL12813290 | 0.80 | NPC1 (0.40) | ALDH1A1TDP1RXRARARARARB | |
| SCHEMBL31305881 | 0.79 | CYP1A2 (0.36) | CYP1A2HAO1ALDH1A1TDP1POLB | |
| SCHEMBL28960507 | 0.77 | HAO1 (0.36) | CYP1A2HAO1ALDH1A1TDP1GRIK1 | |
| SCHEMBL29060322 | 0.77 | CYP1A2 (0.41) | CYP1A2HAO1ALDH1A1TDP1RXRA | |
| SCHEMBL28707546 | 0.77 | CYP1A2 (0.41) | CYP1A2HAO1ALDH1A1TDP1RXRA | |
| SCHEMBL11563975 | 0.77 | CYP1A2 (0.41) | CYP1A2HAO1ALDH1A1TDP1RXRA | |
| SCHEMBL28891597 | 0.74 | CYP1A2 (0.36) | CYP1A2HAO1ALDH1A1TDP1GRIK1 | |
| SCHEMBL10946665 | 0.71 | GRIK1 (0.34) | CYP1A2HAO1GRIK1GRIK2RXRA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8674143-B2 | Synthesis of green ketone intermediate | DSM IP ASSETS, B.V. (NL) | 2014-03-18 | — | — | US | claimed |
| US-20120283476-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS, B.V. (NL) | 2012-11-08 | — | — | US | claimed |
| WO-2010043522-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS B.V. (NL) | 2010-04-22 | — | — | WO | claimed |
| US-8674143-B2 | Synthesis of green ketone intermediate | DSM IP ASSETS, B.V. (NL) | 2014-03-18 | — | — | US | disclosed |
| US-20120283476-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS, B.V. (NL) | 2012-11-08 | — | — | US | disclosed |
| WO-2010043522-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS B.V. (NL) | 2010-04-22 | — | — | WO | disclosed |