Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5327019 | 0.82 | ERN1 (0.40) | ERN1LMNAALDH1A1ABCG2CYP1A1 | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 | 0.81 | ERN1 (0.74) | ERN1LMNAALDH1A1ABCG2PRKDC | |
| SCHEMBL25665189 | 0.80 | ALDH1A1 (0.42) | ERN1LMNAALDH1A1PRKDCCYP1A2 | |
| SCHEMBL14387062 | 0.80 | ERN1 (0.38) | ERN1LMNAALDH1A1ABCG2CYP1A1 | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 | 0.79 | ERN1 (0.71) | ERN1LMNAALDH1A1ABCG2PRKDC | |
| SCHEMBL9709201 | 0.79 | ALDH1A1 (0.45) | ERN1LMNAALDH1A1PRKDCCYP1A1 | |
| 2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 | 0.77 | ERN1 (0.75) | ERN1LMNAALDH1A1ABCG2PRKDC | |
| SCHEMBL30230047 | 0.74 | ERN1 (0.65) | ERN1LMNAALDH1A1ABCG2PRKDC | |
| SCHEMBL349075 | 0.74 | ERN1 (0.65) | ERN1LMNAALDH1A1ABCG2PRKDC | |
| SCHEMBL3544897 | 0.74 | CYP1A1 (0.42) | ERN1ALDH1A1CYP1A1CYP1B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007134421-A1 | 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2007-11-29 | — | — | WO | disclosed |