Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5085616 | 0.87 | HPGD (0.40) | ALDH1A1HPGDHDAC3HDAC4HDAC1 | |
| SCHEMBL5097544 | 0.85 | HPGD (0.46) | HPGDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5139867 | 0.85 | HDAC3 (0.50) | HPGDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5134813 | 0.76 | HDAC3 (0.42) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4393657 | 0.73 | KDM4E (0.39) | CA1CA2CA9KMT2ALMNA | |
| SCHEMBL4393659 | 0.73 | KDM4E (0.39) | CA1CA2CA9KMT2ALMNA | |
| SCHEMBL5090836 | 0.72 | LMNA (0.41) | HPGDHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2003777 | 0.68 | TAAR1 (0.41) | TSHRKMT2ALMNA | |
| SCHEMBL7320160 | 0.67 | ALDH1A1 (0.64) | ALDH1A1HPGDHDAC3HDAC4HDAC1 | |
| SCHEMBL928881 | 0.65 | — | — |
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-1968609-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS | RND Pharmaceuticals, Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007073560-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS | RND PHARMACEUTICALS, INC. (US) | 2007-06-28 | — | — | WO | disclosed |