Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KDM6B | O15054 | 1/20 | 0.52 |
| ▸ | KDM4A | O75164 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1687197 | 1.00 | TDP1 (0.67) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL30923484 | 0.89 | KDM4C (0.62) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL3392091 | 0.89 | KDM4C (0.62) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL11870062 | 0.89 | KDM4C (0.62) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11417342 | 0.87 | KDM4C (0.60) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL15550884 | 0.85 | SIRT3 (0.60) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL29740415 | 0.84 | TDP1 (0.59) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL29374289 | 0.84 | SIRT3 (0.55) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL22190223 | 0.84 | TDP1 (0.55) | TDP1SIRT3KDM4EKDM4CALDH1A1 | |
| SCHEMBL29741235 | 0.84 | TDP1 (0.59) | TDP1SIRT3KDM4EKDM4CALDH1A1 |
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 |