Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 11/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 10/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447254 | 0.85 | CYP2C19 (0.61) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL3978730 | 0.80 | CYP3A4 (0.55) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL16346261 | 0.80 | ALDH1A1 (0.65) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL1922269 | 0.80 | CYP3A4 (0.76) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL30947333 | 0.79 | CYP3A4 (0.69) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL30270434 | 0.78 | CYP3A4 (0.55) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL23908785 | 0.77 | CYP3A4 (0.77) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL29984901 | 0.77 | CYP3A4 (0.61) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL550215 | 0.77 | CYP3A4 (0.61) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E | |
| SCHEMBL30727473 | 0.77 | CYP3A4 (0.77) | CYP2C19CYP2C9CYP3A4CYP1A2KDM4E |
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-2105433-B1 | Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction | UNIV DRESDEN TECH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-2105433-A1 | Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction | Technische Universität Dresden (DE) | 2009-09-30 | — | — | EP | disclosed |