Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4146830 | 1.00 | CYP2A6 (0.55) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| SCHEMBL7848443 | 0.97 | CYP2A6 (0.52) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| Dimethylamine SCHEMBL6609422 | 0.93 | CYP2A6 (0.48) | CYP2A6ALDH1A1LMNAKDM4ETP53 | |
| SCHEMBL9461723 | 0.85 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL333123 | 0.85 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL7527708 | 0.85 | CYP3A4 (0.65) | ALDH1A1LMNAKDM4ETP53CYP3A4 | |
| SCHEMBL9004502 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL4195180 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL4195177 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 | |
| SCHEMBL806367 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1KDM4ETYRCYP2A13 |
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 |
|---|---|---|---|---|---|---|---|
| US-8889392-B2 | Monolignol 4-O-methyltransferases and uses thereof | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2014-11-18 | — | — | US | disclosed |
| US-20120117694-A1 | Novel Monolignol 4-O-Methyltransferases and Uses Thereof | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2012-05-10 | — | — | US | disclosed |