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 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL5688041 | 0.88 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDSMN1; SMN2PKM | |
| Sulfuric Acid SCHEMBL5688047 | 0.87 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDSMN1; SMN2PKM | |
| Trifluoromethanesulfonic Acid SCHEMBL18205725 | 0.83 | ACHE (0.40) | ALDH1A1KDM4EHPGDSMN1; SMN2MAPT | |
| SCHEMBL29496561 | 0.82 | KDM4E (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL2271462 | 0.82 | KDM4E (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| Iodide SCHEMBL6093239 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| Iodide SCHEMBL2234372 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| Bromide SCHEMBL9694606 | 0.80 | MAPT (0.48) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL7776252 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| Iodide SCHEMBL29496722 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8425622-B2 | Soluble solid hair coloring article | THE PROCTER & GAMBLE COMPANY (US) | 2013-04-23 | — | — | US | disclosed |