Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | ADH1B | P00325 | 2/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | ADH1A | P07327 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20061131 | 1.00 | ALDH1A1 (0.69) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL20061142 | 1.00 | ALDH1A1 (0.69) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL20061125 | 0.97 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL20061122 | 0.97 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL26620814 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL24316226 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL24316216 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EMGAMSI | |
| SCHEMBL24839013 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EEPHX1CYP3A4 | |
| SCHEMBL18657086 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EEPHX1CYP3A4 | |
| SCHEMBL25122871 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EEPHX1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008089010-A1 | PREPARATION OF SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2008-07-24 | — | — | WO | disclosed |