Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 6/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GUSB | P08236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11033685 | 0.70 | ALDH1A1 (0.41) | ALDH1A1EPHX1ALOX5GBA1TSHR | |
| SCHEMBL22471680 | 0.70 | ALDH1A1 (0.41) | ALDH1A1EPHX1ALOX5GBA1SPHK1 | |
| SCHEMBL17351132 | 0.70 | ALDH1A1 (0.41) | ALDH1A1EPHX1GBA1SPHK1TSHR | |
| SCHEMBL23645804 | 0.69 | SPHK1 (0.44) | SPHK1 | |
| SCHEMBL23645805 | 0.69 | CYP19A1 (0.34) | ALDH1A1ALOX5GBA1SPHK1GUSB | |
| Ammonia Solution, Strong SCHEMBL22283017 | 0.69 | ALDH1A1 (0.39) | ALDH1A1EPHX1ALOX5GBA1TSHR | |
| SCHEMBL23645606 | 0.68 | EPHX1 (0.38) | ALDH1A1EPHX1SPHK1TSHRTHRB | |
| SCHEMBL11859588 | 0.67 | ALDH1A1 (0.43) | ALDH1A1EPHX1ALOX5GBA1SPHK1 | |
| SCHEMBL11215498 | 0.66 | ALDH1A1 (0.36) | ALDH1A1EPHX1FUCA1GBA1TSHR | |
| SCHEMBL1437889 | 0.66 | ALOX5 (0.50) | ALDH1A1EPHX1FUCA1ALOX5GBA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9315848-B2 | Volatile organic compounds for detecting cell dysplasia and genetic alterations associated with lung cancer | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2016-04-19 | — | — | US | disclosed |
| US-20130143247-A1 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2013-06-06 | — | — | US | disclosed |
| WO-2012023138-A2 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-02-23 | — | — | WO | disclosed |