Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7536739 | 0.75 | RAB9A (0.48) | ALDH1A1MAPK1CYP3A4TDP1KDM4E | |
| SCHEMBL9911471 | 0.70 | ERCC1 (0.57) | ALDH1A1KDM4EHTTCA2MAPT | |
| SCHEMBL7194200 | 0.70 | HDAC6 (0.62) | ALDH1A1TDP1KDM4EHTTMAPT | |
| SCHEMBL6507867 | 0.70 | HDAC6 (0.62) | ALDH1A1TDP1KDM4EHTTMAPT | |
| SCHEMBL9843973 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL20904516 | 0.69 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL30945860 | 0.68 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL856237 | 0.67 | CA1 (0.70) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL9242992 | 0.67 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL11534880 | 0.67 | ALDH1A1 (0.48) | ALDH1A1TSHRMAPK1CYP3A4TDP1 |
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-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |