Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3275928 | 0.86 | CYP2A6 (0.63) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL2406653 | 0.81 | CYP2A6 (0.48) | CYP2A6POLBHPRT1TYMS | |
| SCHEMBL599024 | 0.80 | CYP1A2 (0.73) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL380109 | 0.79 | HPRT1 (0.64) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL597806 | 0.78 | CYP1A2 (0.57) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL13182603 | 0.78 | CYP1A2 (0.63) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| Hydrochloric Acid SCHEMBL8104845 | 0.78 | HPRT1 (0.61) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL412050 | 0.77 | ALDH1A1 (0.73) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL599097 | 0.77 | ALDH1A1 (0.73) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL17702481 | 0.77 | CYP2A6 (0.39) | CYP1A2ALDH1A1HSD17B10CYP2A6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116924873-A | Method for synthesizing 1-substituted phenanthrene compound by palladium-catalyzed o-halogenated benzoate decarbonylation | 西北师范大学 | 2023-10-24 | — | — | CN | disclosed |