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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28276832 | 0.87 | GAA (0.47) | GAASMN1; SMN2TSHRLMNAMEN1 | |
| SCHEMBL27980239 | 0.87 | CHRM2 (0.33) | GAASMN1; SMN2TSHRALDH1A1KDM4E | |
| SCHEMBL27980063 | 0.82 | GAA (0.46) | GAASMN1; SMN2TSHRLMNAMEN1 | |
| SCHEMBL12220240 | 0.81 | GAA (0.60) | GAASMN1; SMN2TSHRALDH1A1KDM4E | |
| Acetic Acid SCHEMBL27980670 | 0.80 | GAA (0.50) | GAASMN1; SMN2ALDH1A1KDM4EHPGD | |
| Iodide SCHEMBL2193919 | 0.79 | GAA (0.58) | GAASMN1; SMN2TSHRALDH1A1KDM4E | |
| SCHEMBL28276829 | 0.74 | CYP2D6 (0.36) | GAASMN1; SMN2TSHRLMNAMAPT | |
| SCHEMBL27980124 | 0.71 | — | — | |
| Benzene SCHEMBL8151103 | 0.69 | TSHR (0.41) | SMN1; SMN2TSHR | |
| Toluene SCHEMBL3411689 | 0.69 | TSHR (0.52) | GAASMN1; SMN2TSHRALDH1A1KDM4E |
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-109415452-A | The method for preparing highly reactive isobutylene homo or copolymer | 巴斯夫欧洲公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-104136585-A | Imidazolium salts as additives for fuels and combustibles | BASF SE | 2014-11-05 | — | — | CN | disclosed |