Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | APP | P05067 | 7/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13665344 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL194828 | 0.79 | CYP2A6 (0.52) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL3394069 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL13018335 | 0.74 | ALDH1A1 (0.65) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL13018337 | 0.74 | ALDH1A1 (0.65) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL3946527 | 0.74 | ALDH1A1 (0.65) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL65261 | 0.72 | ALDH1A1 (1.00) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL535498 | 0.72 | ACHE (0.50) | ALDH1A1TSHRCYP2A6CYP3A4TDP1 | |
| SCHEMBL55926 | 0.72 | SLC2A1 (0.75) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL354673 | 0.72 | CA1 (0.61) | ALDH1A1TSHRALOX15CYP2A6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101778828-A | Azolylmethylenehydrazine derivatives and uses thereof | KAKEN PHARMA CO LTD | 2010-07-14 | — | — | CN | claimed |
| CN-101778828-A | Azolylmethylenehydrazine derivatives and uses thereof | KAKEN PHARMA CO LTD | 2010-07-14 | — | — | CN | disclosed |