Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3524143 | 0.82 | NAPRT (0.55) | CHRNA7CYP2A6ESR1CYP19A1HRH1 | |
| SCHEMBL5634650 | 0.82 | NAPRT (0.55) | CHRNA7CYP2A6ESR1CYP19A1HRH1 | |
| SCHEMBL3524137 | 0.82 | NAPRT (0.55) | CHRNA7CYP2A6ESR1CYP19A1HRH1 | |
| SCHEMBL83186 | 0.79 | RECQL (0.62) | CHRNA7CYP2A6ESR1CYP19A1TBXAS1 | |
| SCHEMBL27207826 | 0.78 | LOXL2 (0.48) | HRH1TDP1L3MBTL1 | |
| SCHEMBL1342676 | 0.77 | GRIN1 (0.66) | CYP2A6TDP1 | |
| SCHEMBL12127745 | 0.77 | GRIN1 (0.66) | CYP2A6TDP1 | |
| SCHEMBL1342673 | 0.77 | GRIN1 (0.66) | CYP2A6TDP1 | |
| Hydrochloric Acid SCHEMBL5349530 | 0.77 | TBXAS1 (0.61) | CHRNA7CYP2A6ESR1CYP19A1TBXAS1 | |
| SCHEMBL7365547 | 0.76 | TBXAS1 (0.49) | CHRNA7ESR1CYP19A1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6284779-B1 | NERVOUS SYSTEM DISORDERS | SCHERING AKTIIENGESELLSCHAFT (DE) | 2001-09-04 | — | — | US | disclosed |
| WO-2000046222-A1 | HETEROAROMATIC COMPOUNDS WITH NEURONAL ACTIVITY | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-10 | — | — | WO | disclosed |