Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1446334 | 0.91 | LMNA (0.61) | LMNACYP1A2AGTR1CA12CA1 | |
| SCHEMBL4334443 | 0.82 | ALDH1A1 (0.55) | LMNACYP1A2AGTR1SMN1; SMN2KDM4E | |
| Acetaldehyde SCHEMBL10704170 | 0.82 | LMNA (0.53) | LMNACYP1A2AGTR1CA12CA1 | |
| 1,2-Dimethoxybenzene SCHEMBL27532746 | 0.80 | CA1 (0.72) | LMNACA12CA1CA2CA4 | |
| SCHEMBL1667585 | 0.76 | HTR1A (0.56) | SMN1; SMN2ALDH1A1GAAPOLBNPC1 | |
| 1,2-Dimethoxybenzene SCHEMBL28616635 | 0.76 | CA1 (0.72) | LMNAAGTR1CA12CA1CA2 | |
| SCHEMBL1496733 | 0.76 | LMNA (0.68) | LMNACYP1A2AGTR1CA12CA1 | |
| SCHEMBL8684485 | 0.76 | LMNA (0.58) | LMNACYP1A2AGTR1CA12CA1 | |
| SCHEMBL10639362 | 0.76 | LMNA (0.58) | LMNACYP1A2AGTR1CA12CA1 | |
| SCHEMBL7415697 | 0.76 | LMNA (0.58) | LMNACYP1A2AGTR1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285890-A2 | New process for the synthesis of the alpha-(1-methylethyl)-3,4-dimethoxybenzene-acetonitrile | Alfa Chemicals Italiana S.r.l. (IT) | 1988-10-12 | — | — | EP | disclosed |