Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31017535 | 0.98 | BLM (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL30521955 | 0.77 | L3MBTL1 (0.39) | TDP1PTGS2IDO1ALDH1A1HSD17B10 | |
| SCHEMBL4841692 | 0.77 | ALDH1A1 (0.41) | CYP1A2TDP1PTGS2IDO1ALDH1A1 | |
| SCHEMBL1922270 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL7799960 | 0.74 | IDO1 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL449614 | 0.73 | TSHR (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL10430154 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL17188595 | 0.71 | GRM5 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL3121931 | 0.70 | SMN1; SMN2 (0.39) | CYP1A2CYP3A4CYP2C19TDP1CYP2D6 | |
| SCHEMBL9524079 | 0.70 | KCNH3 (0.39) | ALDH1A1TSHRALOX12MAPK1MAPT |
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 |