Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL7639859 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL10693904 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL27718369 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| SCHEMBL221053 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| Ethylene SCHEMBL3475332 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| SCHEMBL29136554 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| SCHEMBL10697761 | 0.84 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4 | |
| SCHEMBL10413688 | 0.84 | ALDH1A1 (0.68) | ALDH1A1TSHRCYP3A4 | |
| Methacrylic Acid SCHEMBL4814817 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 | |
| Vinyl Chloride SCHEMBL28543043 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TSHRHPGDSMN1; SMN2CYP3A4 |
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-4791181-A | LOW CONCENTRATIONS OF ACETONITRILE USED TO CONTROL FORMATION OF LIVING POLYMERS BY BULK POLYMERIZATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-13 | — | — | US | disclosed |