Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2829694 | 0.89 | — | — | |
| SCHEMBL445540 | 0.89 | — | — | |
| SCHEMBL3180256 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29056653 | 0.87 | CYP1A2 (0.52) | CYP1A2ALDH1A1ADRA2A | |
| Hydrochloric Acid SCHEMBL29056655 | 0.87 | CYP1A2 (0.52) | CYP1A2ALDH1A1ADRA2A | |
| Hydrochloric Acid SCHEMBL2673742 | 0.87 | CYP1A2 (0.52) | CYP1A2ALDH1A1ADRA2A | |
| Hydrochloric Acid SCHEMBL6778419 | 0.87 | CYP1A2 (0.52) | CYP1A2ALDH1A1ADRA2A | |
| SCHEMBL1489649 | 0.87 | CYP1A2 (0.62) | CYP1A2ALDH1A1ADRA2A | |
| SCHEMBL4516096 | 0.81 | CYP1A2 (0.92) | CYP1A2ALDH1A1ADRA2A | |
| SCHEMBL1966053 | 0.77 | CYP1A2 (0.50) | CYP1A2ALDH1A1ADRA2A |
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-2003053536-A1 | NOVEL DEMULSIFIERS,THEIR PREPARATION AND USE IN OIL BEARING FORMATIONS | ONDEO NALCO ENERGY SERVICES, L.P. (US) | 2003-07-03 | — | — | WO | disclosed |