Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8717988 | 0.80 | NR1I2 (0.31) | NR1I2ALOX5 | |
| SCHEMBL6971692 | 0.79 | PTGS1 (0.35) | NR1I2ALOX5PTGS1PTGS2CYP1A2 | |
| SCHEMBL8719900 | 0.76 | AKT1 (0.33) | NR1I2ALOX5PSEN1 | |
| SCHEMBL8719905 | 0.75 | NR1I2 (0.33) | NR1I2ALOX5 | |
| SCHEMBL8878648 | 0.74 | ALOX5 (0.35) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8714516 | 0.72 | — | — | |
| SCHEMBL6975994 | 0.72 | — | — | |
| SCHEMBL8713232 | 0.71 | — | — | |
| SCHEMBL8713459 | 0.70 | — | — | |
| SCHEMBL9201658 | 0.70 | — | — |
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-5770772-A | 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |