Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 8/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL7445580 | 0.87 | POLB (0.54) | MCHR1HRH3KCNH2ESR1ESR2 | |
| SCHEMBL6593929 | 0.79 | ESR1 (0.56) | HRH3ESR1ESR2LTA4H | |
| SCHEMBL15954119 | 0.79 | APP (0.46) | KCNH2 | |
| SCHEMBL7774143 | 0.77 | LTA4H (0.55) | MCHR1HRH3ESR1ESR2LTA4H | |
| SCHEMBL6595152 | 0.77 | LTA4H (0.55) | HRH3ESR1ESR2LTA4H | |
| SCHEMBL7441443 | 0.77 | ESR1 (0.56) | HRH3KCNH2ESR1ESR2LTA4H | |
| SCHEMBL7772161 | 0.76 | ESR1 (0.70) | KCNH2CYP3A4ADRA2ACYP2D6ADRA1D | |
| SCHEMBL7768257 | 0.75 | ESR1 (0.56) | HRH3KCNH2ESR1ESR2LTA4H | |
| SCHEMBL7446847 | 0.74 | LTA4H (0.58) | MCHR1HRH3KCNH2LTA4H | |
| SCHEMBL7772361 | 0.74 | NPC1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |