Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL7699974 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2GAATP53 | |
| SCHEMBL8799020 | 0.82 | SMN1; SMN2 (0.64) | ALDH1A1CYP1A2SMN1; SMN2GAATP53 | |
| SCHEMBL4438781 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2GAATP53NPC1 | |
| Benzene SCHEMBL28074647 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAATP53NPC1 | |
| SCHEMBL40525 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAATP53NPC1 | |
| SCHEMBL12262968 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAATP53NPC1 | |
| SCHEMBL28166896 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2GAATP53NPC1 | |
| SCHEMBL7089789 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP1A2SMN1; SMN2GAATP53 | |
| SCHEMBL28946812 | 0.78 | ATM (0.60) | ALDH1A1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL76489 | 0.78 | ALDH1A1 (0.67) | ALDH1A1CYP1A2SMN1; SMN2GAATP53 |
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-1591099-A2 | Methods for stabilizing ingredients within cosmetics, personal care and household products | MERCK PATENT GmbH (DE) | 2005-11-02 | — | — | EP | claimed |
| EP-1591099-A2 | Methods for stabilizing ingredients within cosmetics, personal care and household products | MERCK PATENT GmbH (DE) | 2005-11-02 | — | — | EP | disclosed |