Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28020042 | 0.77 | MEN1 (0.35) | TDP1PDK2ALDH1A1HSD17B10HPGD | |
| SCHEMBL17727866 | 0.77 | ALDH1A1 (0.34) | SLC6A2SLC6A4SLC6A3THRBTDP1 | |
| SCHEMBL28549103 | 0.77 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3THRBTDP1 | |
| SCHEMBL4413275 | 0.77 | ALDH1A1 (0.34) | SLC6A2SLC6A4SLC6A3THRBTDP1 | |
| SCHEMBL238941 | 0.76 | THRB (0.42) | SLC6A2SLC6A4SLC6A3THRBTDP1 | |
| SCHEMBL10445209 | 0.76 | PDK2 (0.36) | PDK2 | |
| SCHEMBL4089733 | 0.74 | HDAC4 (0.36) | HDAC4HDAC2 | |
| SCHEMBL28469714 | 0.74 | PNMT (0.39) | PDK2ALDH1A1HPGDHSP90AA1 | |
| SCHEMBL2490086 | 0.73 | HDAC4 (0.34) | THRBTDP1PDK2ALDH1A1HDAC4 | |
| SCHEMBL17797042 | 0.73 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1494995-A1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | Wella Aktiengesellschaft (DE) | 2005-01-12 | — | — | EP | claimed |
| WO-2003087034-A1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2003-10-23 | — | — | WO | claimed |
| EP-1494995-A1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | Wella Aktiengesellschaft (DE) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003087034-A1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2003-10-23 | — | — | WO | disclosed |