Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 8/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | USP7 | Q93009 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1628438 | 0.83 | BACE1 (0.49) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2707542 | 0.81 | SLC18A3 (0.59) | QDPRHTR2CSLC18A3SIGMAR1SLC6A2 | |
| SCHEMBL2698584 | 0.81 | BACE1 (0.51) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29991729 | 0.81 | BACE1 (0.51) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL654282 | 0.81 | QDPR (0.62) | QDPRHTR2CESR1ESR2SLC18A3 | |
| Hydrochloric Acid SCHEMBL2799671 | 0.80 | SLC18A3 (0.57) | QDPRHTR2CSLC18A3SIGMAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL29688235 | 0.80 | SLC18A3 (0.57) | QDPRHTR2CSLC18A3SIGMAR1SLC6A2 | |
| Bromide SCHEMBL17477290 | 0.79 | QDPR (0.60) | QDPRHTR2CESR1ESR2SLC18A3 | |
| Hydrochloric Acid SCHEMBL2271784 | 0.79 | QDPR (0.60) | QDPRHTR2CESR1ESR2SLC18A3 | |
| SCHEMBL7966782 | 0.79 | HTR2C (0.64) | QDPRHTR2CSLC18A3SIGMAR1SLC6A2 |
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-6303627-B1 | FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS | ELI LILLY AND COMPANY | 2001-10-16 | — | — | US | disclosed |
| WO-1999065487-A1 | INHIBITORS OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0965587-A1 | Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |