Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL172155 | 0.81 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1771243 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1782693 | 0.77 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2854104 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL3273226 | 0.76 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1118025 | 0.75 | TSHR (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1781609 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL6067925 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL3277209 | 0.75 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL1118053 | 0.74 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120326092-A1 | VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-12-27 | — | — | US | claimed |
| WO-2011083473-A1 | VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2011-07-14 | — | — | WO | claimed |
| US-9551712-B2 | Volatile organic compounds as diagnostic markers for various types of cancer | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) | 2017-01-24 | — | — | US | disclosed |
| US-20120326092-A1 | VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-12-27 | — | — | US | disclosed |
| WO-2011083473-A1 | VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC MARKERS FOR VARIOUS TYPES OF CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2011-07-14 | — | — | WO | disclosed |