Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294766 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4EKMT2A | |
| SCHEMBL28296475 | 0.79 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2PPARGPPARALMNA | |
| SCHEMBL28296480 | 0.79 | MMP8 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL28873305 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CTSLPPARGPPARALMNA | |
| SCHEMBL29078678 | 0.73 | RIPK1 (0.42) | ALDH1A1CYP2C19CTSLCTSSCTSK | |
| SCHEMBL9741613 | 0.71 | LMNA (0.41) | CYP3A4CYP2C9CYP2C19CTSSCTSK | |
| SCHEMBL584901 | 0.71 | HSD17B10 (0.58) | CYP2C9POLBLMNACYP1A2MEN1 | |
| SCHEMBL28351865 | 0.69 | LMNA (0.44) | CYP2C9POLBLMNAKDM4ETRPA1 | |
| SCHEMBL1750351 | 0.69 | SMN1; SMN2 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5916381 | 0.69 | LMNA (0.44) | ALDH1A1CYP2C9POLBLMNAKDM4E |
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-109694334-B | Solvent-free preparation method of disubstituted cyanoacetate compound | 西华大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-109694334-A | The non-solvent preparation of disubstituted cyanoacetic acid ester compounds | 西华大学 | 2019-04-30 | — | — | CN | disclosed |