Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL970746 | 0.88 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Propane SCHEMBL28339028 | 0.88 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| Alcohol SCHEMBL490837 | 0.88 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| SCHEMBL19814012 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL28253720 | 0.85 | — | — | |
| SCHEMBL827 | 0.85 | — | — | |
| SCHEMBL249947 | 0.85 | LMNA (0.50) | LMNABLMPTGS1PDE4ASLC6A6 | |
| SCHEMBL28941671 | 0.83 | LMNA (0.52) | LMNABLMPTGS1PDE4ASLC6A6 | |
| SCHEMBL18155126 | 0.82 | LMNA (0.43) | LMNABLMPTGS1PDE4ASLC6A6 | |
| SCHEMBL1304651 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103288686-B | The preparation of acyl isethionate ester composition and production method | HUNTSMAN SPEC CHEM CORP. (US) | 2015-11-18 | — | — | CN | claimed |
| CN-103370044-B | Dandruff control shampoo containing | 荷兰联合利华有限公司 | 2016-08-10 | — | — | CN | disclosed |