Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 3/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28853829 | 0.83 | PTGS2 (0.53) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL14207475 | 0.83 | CYP19A1 (0.45) | HDAC1HDAC8CYP19A1MAOAKDM4E | |
| SCHEMBL9269708 | 0.80 | HDAC1 (0.51) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL1650349 | 0.80 | CA12 (0.49) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL1275476 | 0.79 | HDAC1 (0.48) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL8666600 | 0.77 | HDAC1 (0.55) | HDAC1HDAC8CYP19A1CA1CA2 | |
| SCHEMBL1457933 | 0.75 | CYP19A1 (0.48) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL30137236 | 0.75 | SIGMAR1 (0.54) | HDAC1CA12CA1CA2CYP2A6 | |
| SCHEMBL4414373 | 0.75 | HDAC1 (0.52) | HDAC1HDAC8CYP19A1CA12CA1 | |
| SCHEMBL6763586 | 0.75 | PKM (0.49) | GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115611854-B | New method for preparing naratriptan and derivatives thereof | 天津师范大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115611854-A | New method for preparing naratriptan and derivatives thereof | 天津师范大学 | 2023-01-17 | — | — | CN | disclosed |
| US-4994483-A | 5-substituted-3-aminoalkyl indole derivatives for migraine | GLAXO GROUP LIMITED (GB) | 1991-02-19 | — | — | US | disclosed |