Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | XBP1 | P17861 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| (Ethenylsulfonyl)Benzene SCHEMBL1331367 | 1.00 | TLR9 (0.58) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| (Ethenylsulfonyl)Benzene SCHEMBL45672 | 1.00 | TLR9 (0.58) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL9696202 | 0.86 | ALDH1A1 (0.55) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL10860893 | 0.86 | ALDH1A1 (0.73) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| (Ethenylsulfonyl)Benzene SCHEMBL6253063 | 0.84 | TSHR (0.44) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL54845 | 0.82 | TSHR (0.50) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL9695867 | 0.81 | PFKFB3 (0.45) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL5611713 | 0.80 | TLR9 (0.54) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL7541319 | 0.78 | TLR9 (0.64) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL1344338 | 0.78 | TLR9 (0.80) | TLR9ALDH1A1TSHRSMN1; SMN2HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |