Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7241764 | 0.90 | ALDH1A1 (0.44) | CYP1A2CYP2C9CYP3A4ALDH1A1HPGD | |
| SCHEMBL7231625 | 0.79 | HCAR3 (0.47) | HCAR3CYP1A2CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL7229971 | 0.78 | HCAR3 (0.45) | HCAR3ALDH1A1HPGDOPRM1OPRD1 | |
| SCHEMBL7240516 | 0.77 | HCAR3 (0.44) | HCAR3ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL7232819 | 0.77 | HCAR3 (0.44) | HCAR3ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL5217571 | 0.76 | CTSD (0.51) | CYP1A2CYP2C9CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL7237438 | 0.75 | ALDH1A1 (0.54) | CYP1A2CYP2C9CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL7934713 | 0.73 | GAA (0.58) | CYP1A2CYP2C9CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL22097725 | 0.72 | HCAR3 (0.60) | HCAR3 | |
| SCHEMBL5217257 | 0.72 | ALDH1A1 (0.50) | CYP1A2CYP2C9CYP3A4ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6509359-B1 | Use as a neuramninidase inhibitor in virus | BIOCRYST PHARMACEUTICALS, INC. | 2003-01-21 | — | — | US | claimed |
| US-6509359-B1 | Use as a neuramninidase inhibitor in virus | BIOCRYST PHARMACEUTICALS, INC. | 2003-01-21 | — | — | US | disclosed |