Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 3/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1650349 | 0.91 | CA12 (0.49) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL1650589 | 0.81 | CA1 (0.51) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL30155019 | 0.81 | CA1 (0.51) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL8694824 | 0.79 | HDAC1 (0.55) | HDAC1HDAC8CYP2A6IMPDH2IMPDH1 | |
| SCHEMBL9269708 | 0.78 | HDAC1 (0.51) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL28853829 | 0.78 | PTGS2 (0.53) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL8666600 | 0.78 | HDAC1 (0.55) | HDAC1HDAC8CA2CA1CYP19A1 | |
| SCHEMBL25143778 | 0.78 | HDAC1 (0.57) | HDAC1HDAC8CYP2A6IMPDH2IMPDH1 | |
| Sulfuric Acid SCHEMBL1491064 | 0.77 | CA1 (0.48) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL1457933 | 0.77 | CYP19A1 (0.48) | HDAC1HDAC8CA2CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016466-A2 | A PROCESS FOR THE PREPARATION OF NARATRIPTAN HYDROCHLORIDE | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2009-02-05 | — | — | WO | disclosed |