Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10163498 | 0.95 | CYP1A2 (0.46) | CYP1A2CYP2D6CA1CA2CA4 | |
| SCHEMBL25641436 | 0.91 | CYP1A2 (0.42) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL13658057 | 0.91 | CYP1A2 (0.42) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL2379725 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1IDO1TDO2 | |
| SCHEMBL7735125 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1IDO1TDO2 | |
| Methyl Alcohol SCHEMBL25200548 | 0.81 | CYP1A2 (0.37) | CYP1A2CYP2D6CA1CA2CA4 | |
| SCHEMBL15490090 | 0.77 | CYP1A2 (0.35) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL11700916 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL20695818 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL9486764 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2D6ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9020768-A | — | — | None | — | — | JP | disclosed |
| WO-2023181572-A1 | METHOD FOR EXAMINING AT LEAST ONE RISK SELECTED FROM GROUP CONSISTING OF SYMPTOM EXPRESSION RISK, AGGRAVATION RISK, COMPLICATION ONSET RISK, AND LONG-TERM HOSPITALIZATION RISK WHEN AFFLICTED WITH COVID-19, EXAMINATION DEVICE, AND EXAMINATION PROGRAM | 江崎グリコ株式会社 | 2023-09-28 | — | — | WO | disclosed |
| CN-101395150-A | Phenethanolamine derivatives as beta2 adrenoreceptor agonists | ASTRAZENECA AB (SE) | 2009-03-25 | — | — | CN | disclosed |
| CN-101160305-A | Substituted chroman derivatives, method for the production and the use thereof in the form of antiphlogistics | SCHERING AG (DE) | 2008-04-09 | — | — | CN | disclosed |
| JP-H0920768-A | STEREOSELECTIVE PRODUCTION OF (-)3A,6,6,9A-TETRAMETHYL-PERHYDRONAPHTO(2,1-B)FURAN | BASF AG | 1997-01-21 | — | — | JP | disclosed |
| US-4120308-A | Substituted norbornane derivatives used in the process of flavoring tobacco and the product thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4119574-A | 4-Hydroxy-2,4,6,6-tetramethyl cyclohex-2-en-1-one perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-10 | — | — | US | disclosed |