Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL343756 | 0.92 | TSHR (0.50) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL5793444 | 0.86 | TSHR (0.41) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL270073 | 0.86 | TSHR (0.41) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL12932724 | 0.85 | CA1 (0.56) | CA1FDPSCA2MAPK1ACE2 | |
| Benzene SCHEMBL19859125 | 0.84 | CHRM1 (0.46) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL12748365 | 0.83 | CA1 (0.65) | NFKB1CA1FDPSCA2ACE2 | |
| SCHEMBL19115190 | 0.82 | CHRM1 (0.50) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL18597118 | 0.82 | CA1 (0.58) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL8458239 | 0.82 | CHRM1 (0.39) | TSHRCYP3A4NFKB1NPSR1CA1 | |
| SCHEMBL3448289 | 0.81 | CHRM1 (0.42) | TSHRCYP3A4NFKB1NPSR1CA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105954449-B | A kind of method for quick of tobacco leaf volatile ingredient | 中国烟草总公司郑州烟草研究院 | 2017-07-07 | — | — | CN | disclosed |
| CN-105954449-A | Rapid detection method of tobacco leaf volatile components | 中国烟草总公司郑州烟草研究院 | 2016-09-21 | — | — | CN | disclosed |
| WO-2015169344-A1 | METHOD FOR MAKING MODIFIED PROPPANTS AND THEIR USE FOR HYDRAULIC FRACTURING | BASF SE (DE) | 2015-11-12 | — | — | WO | disclosed |
| US-8242062-B2 | IMS detection of chemical markers in petroleum products | AUTHENTIX, INC. (US) | 2012-08-14 | — | — | US | disclosed |
| US-20110076416-A1 | METHOD OF MAKING POROUS MATERIALS AND POROUS MATERIALS PREPARED THEREOF | BASF SE (DE) | 2011-03-31 | — | — | US | disclosed |
| EP-2264130-A2 | Ims detection of chemical markers in petroleum products | Authentix, Inc. (US) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009150021-A2 | METHOD OF MAKING POROUS MATERIALS AND POROUS MATERIALS PREPARED THEREOF | BASF SE (DE) | 2009-12-17 | — | — | WO | disclosed |
| US-20070212785-A1 | IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS | AUTHENTIX, INC. (US) | 2007-09-13 | — | — | US | disclosed |
| EP-1588174-A4 | IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS | AUTHENTIX INC (US) | 2007-04-25 | — | — | EP | disclosed |
| US-7208451-B2 | IMS detection of chemical markers in petroleum products | AUTHENTIC INC. (US) | 2007-04-24 | — | — | US | disclosed |
| EP-1588174-A2 | IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS | Authentix, Inc. (US) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004068113-A2 | IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS | AUTHENTIX, INC. (US) | 2004-08-12 | — | — | WO | disclosed |
| US-20040147413-A1 | IMS detection of chemical markers in petroleum products | AUTHENTIX, INC. | 2004-07-29 | — | — | US | disclosed |