Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3503996 | 0.91 | ALDH1A1 (0.81) | ALDH1A1KMT2ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL7723455 | 0.91 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 | |
| SCHEMBL24178010 | 0.91 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 | |
| SCHEMBL7721622 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 | |
| SCHEMBL7721679 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15392980 | 0.89 | ALDH1A1 (0.78) | ALDH1A1KMT2ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL12072934 | 0.88 | ALDH1A1 (0.61) | ALDH1A1KMT2ASMN1; SMN2NPSR1HDAC8 | |
| SCHEMBL8601871 | 0.88 | ALDH1A1 (0.61) | ALDH1A1KMT2ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL13496891 | 0.88 | ALDH1A1 (0.61) | ALDH1A1KMT2ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL7301002 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KMT2ASMN1; SMN2NPSR1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114899-B1 | CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES | FIRMENICH & CIE (CH) | 2010-09-22 | — | — | EP | claimed |