Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.69 |
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | CD44 | P16070 | 1/20 | 0.58 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7755088 | 1.00 | CYP3A4 (0.69) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL121858 | 0.96 | CYP3A4 (0.73) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL29388988 | 0.96 | CYP3A4 (0.73) | CYP3A4TSHRMAPK1CD44PTK2 | |
| Hydrochloric Acid SCHEMBL5897246 | 0.92 | CYP3A4 (0.69) | CYP3A4TSHRMAPK1CD44PTK2 | |
| Hydrochloric Acid SCHEMBL5897252 | 0.92 | CYP3A4 (0.69) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL10957620 | 0.86 | CYP3A4 (0.61) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL10910508 | 0.83 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL29452873 | 0.81 | CYP3A4 (0.75) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL2386087 | 0.81 | CYP3A4 (0.75) | CYP3A4TSHRMAPK1CD44PTK2 | |
| SCHEMBL113803 | 0.81 | CYP3A4 (1.00) | CYP3A4TSHRMAPK1CD44PTK2 |
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-0923635-A2 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | CARNEGIE-MELLON UNIVERSITY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998003626-A2 | METAL LIGAND CONTAINING BLEACHING COMPOSITIONS | UNIV CARNEGIE MELLON (US) | 1998-01-29 | — | — | WO | disclosed |