Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL582334 | 0.83 | NOTUM (0.46) | HPGDCYP1A2ALDH1A1HSD17B10SMN1; SMN2 | |
| Bromide SCHEMBL8014734 | 0.82 | NOTUM (0.44) | HPGDCYP1A2ALDH1A1HSD17B10SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5396075 | 0.82 | NOTUM (0.44) | HPGDCYP1A2ALDH1A1HSD17B10TP53 | |
| Iodide SCHEMBL5402073 | 0.82 | NOTUM (0.44) | HPGDCYP1A2ALDH1A1HSD17B10SMN1; SMN2 | |
| Bromide SCHEMBL5406141 | 0.82 | NOTUM (0.44) | HPGDCYP1A2ALDH1A1HSD17B10SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8013061 | 0.82 | NOTUM (0.44) | HPGDCYP1A2ALDH1A1HSD17B10TP53 | |
| SCHEMBL29269316 | 0.76 | HPRT1 (0.50) | HPGDCYP1A2ALDH1A1HSD17B10TP53 | |
| SCHEMBL1441340 | 0.74 | BCHE (0.44) | HPGDCYP1A2ALDH1A1HSD17B10NISCH | |
| Indoline SCHEMBL8003209 | 0.73 | MAPK1 (0.40) | HSD17B10SMN1; SMN2PARP1MEN1KMT2A | |
| SCHEMBL6627569 | 0.72 | BCHE (0.40) | HPGDCYP1A2ALDH1A1HSD17B10CYP2C19 |
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-1054657-A1 | AGENT FOR COLORING FIBERS | Wella Aktiengesellschaft (DE) | 2000-11-29 | — | — | EP | claimed |
| WO-2000033799-A1 | AGENT FOR COLORING FIBERS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | claimed |
| EP-1054657-A1 | AGENT FOR COLORING FIBERS | Wella Aktiengesellschaft (DE) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000033799-A1 | AGENT FOR COLORING FIBERS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |