Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | MCHR1 | Q99705 | 9/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.46 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6749922 | 0.99 | BCHE (0.58) | BCHEACHEMCHR1CYP1A2LTA4H | |
| SCHEMBL6744872 | 0.89 | ESR1 (0.52) | BCHEACHELTA4HKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL6744836 | 0.88 | ESR1 (0.51) | BCHEACHELTA4HKDM4EMEN1 | |
| SCHEMBL6746958 | 0.87 | LTA4H (0.48) | BCHEACHELTA4HKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL6748796 | 0.86 | LTA4H (0.47) | BCHEACHELTA4HKDM4EMEN1 | |
| SCHEMBL7117571 | 0.85 | MEN1 (0.56) | KDM4EMEN1ALDH1A1TP53CYP3A4 | |
| SCHEMBL4651950 | 0.80 | CNR2 (0.65) | BCHEACHEMCHR1CYP3A4MAPT | |
| SCHEMBL6745462 | 0.79 | ESR1 (0.61) | BCHEACHELTA4HESR1 | |
| SCHEMBL6747001 | 0.79 | BCHE (0.56) | BCHEACHEMCHR1ALKTOP1 | |
| SCHEMBL6751622 | 0.79 | MAPT (0.41) | BCHEACHEKDM4EMEN1ALDH1A1 |
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-6703407-B1 | TREATMENT OF MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION | ELI LILLY AND COMPANY | 2004-03-09 | — | — | US | disclosed |
| EP-0774966-B1 | BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS | LILLY CO ELI (US) | 2003-11-05 | — | — | EP | disclosed |
| US-6407243-B1 | POSTMEMOPAUSE DISEASES | ELI LILLY AND COMPANY | 2002-06-18 | — | — | US | disclosed |