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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL725533 | 1.00 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL2705294 | 0.89 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL727293 | 0.85 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| Alcohol SCHEMBL28483078 | 0.84 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL8176787 | 0.82 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL27502734 | 0.82 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL727294 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL275396 | 0.78 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL727187 | 0.78 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 | |
| SCHEMBL10226378 | 0.78 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2TSHRMAPK1HRH3 |
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-2585431-A1 | METAL FREE BLEACHING COMPOSITION | BASF SE (DE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012000846-A1 | METAL FREE BLEACHING COMPOSITION | BASF SE (DE) | 2012-01-05 | — | — | WO | disclosed |