Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 2/20 | 0.44 |
| ▸ | KDM4B | O94953 | 2/20 | 0.44 |
| ▸ | KDM5C | P41229 | 2/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 3/20 | 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 SCHEMBL9046986 | 0.88 | ADRA1D (0.56) | CYP2D6DRD2DRD4DRD3ADRA1D | |
| Oxalic Acid SCHEMBL9048518 | 0.87 | OPRM1 (0.58) | OPRM1OPRK1OPRL1DRD2DRD4 | |
| Oxalic Acid SCHEMBL9046848 | 0.87 | HTR1A (0.51) | HTR7OPRM1OPRK1OPRL1DRD2 | |
| Oxalic Acid SCHEMBL9046888 | 0.87 | CCR2 (0.44) | OPRM1OPRK1OPRL1DRD2DRD4 | |
| SCHEMBL7455861 | 0.87 | SLC6A4 (0.53) | HTR7DRD2KDM4AKDM4BKDM5C | |
| Oxalic Acid SCHEMBL9049150 | 0.85 | SLC6A4 (0.51) | HTR7DRD2KDM4AKDM4BKDM5C | |
| Hydrochloric Acid SCHEMBL9031120 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| Oxalic Acid SCHEMBL9048375 | 0.84 | MAPT (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL7452535 | 0.83 | OPRM1 (0.57) | OPRM1OPRK1OPRL1DRD2DRD4 | |
| Oxalic Acid SCHEMBL9049148 | 0.83 | OPRM1 (0.55) | OPRM1OPRK1OPRL1DRD4KDM4A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708102-B1 | 5-HT1F agonists for the treatment of migraine | LILLY CO ELI (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-0708102-A1 | 5-HT1F agonists for the treatment of migraine | ELI LILLY AND COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |