Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL951950 | 0.79 | TP53 (0.38) | MPOCYP2D6CHEK2 | |
| SCHEMBL949313 | 0.76 | MPO (0.42) | MPOCYP2D6NFKB1TAAR1BACE1 | |
| SCHEMBL1247974 | 0.72 | CYP2D6 (0.46) | MPOCYP2D6NFKB1TAAR1BACE1 | |
| SCHEMBL3277728 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL30940314 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL6775919 | 0.71 | DHFR (0.42) | NFKB1ADORA2AADORA1CYP1A2ALOX5 | |
| Hydrochloric Acid SCHEMBL27778340 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL11146024 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL9423544 | 0.68 | ALDH1A1 (0.35) | CYP1A2 | |
| SCHEMBL3745750 | 0.67 | HCAR2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454243-A2 | TETRAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |