Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MPL | P40238 | 2/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10937416 | 0.81 | KIF11 (0.70) | KIF11ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL22155093 | 0.80 | KIF11 (0.50) | KIF11ALDH1A1HPGDSMN1; SMN2MPL | |
| SCHEMBL29368226 | 0.78 | KIF11 (0.75) | KIF11ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL30914261 | 0.78 | KIF11 (0.75) | KIF11ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL5466693 | 0.78 | KIF11 (0.75) | KIF11ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL29980986 | 0.78 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL1760670 | 0.78 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4846920 | 0.78 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL17775035 | 0.77 | KIF11 (0.55) | KIF11ALDH1A1MAOAAHRKDM4E | |
| SCHEMBL4848746 | 0.77 | ALDH1A1 (0.72) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2201069-A2 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | Board of Regents, The University of Texas System (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009039180-A2 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2009-03-26 | — | — | WO | disclosed |