Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.56 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7452470 | 0.89 | ESR1 (0.49) | ESR1ESR2F2KCNH2HRH3 | |
| SCHEMBL7414836 | 0.85 | ESR1 (0.58) | ESR1ESR2F2ALDH1A1CYP1A2 | |
| SCHEMBL7452427 | 0.85 | ESR1 (0.51) | ESR1ESR2F2ALDH1A1CYP1A2 | |
| SCHEMBL7445743 | 0.84 | ESR1 (0.59) | ESR1ESR2F2ALDH1A1CYP1A2 | |
| SCHEMBL8632802 | 0.84 | MAPT (0.43) | ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL8635922 | 0.84 | MAPT (0.43) | ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL7451880 | 0.82 | HRH3 (0.51) | ESR1ESR2F2KCNH2HRH3 | |
| SCHEMBL8634790 | 0.81 | MAPT (0.48) | ALDH1A1CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL7445232 | 0.81 | ESR1 (0.57) | ESR1ESR2KCNH2ALDH1A1CYP1A2 | |
| SCHEMBL8642388 | 0.81 | ESR1 (0.55) | ESR1ESR2KCNH2ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |