Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 15/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8130108 | 0.91 | NR1I2 (0.79) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL5099352 | 0.90 | NR1I2 (0.77) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8120635 | 0.89 | NR1I2 (0.76) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8137086 | 0.89 | NR1I2 (0.76) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8121315 | 0.89 | NR1I2 (0.76) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874177 | 0.88 | NR1I2 (0.74) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8874369 | 0.88 | NR1I2 (0.74) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL4656259 | 0.87 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| SCHEMBL8875401 | 0.87 | NR1I2 (0.84) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 | |
| Pleconaril SCHEMBL49383 | 0.87 | NR1I2 (1.00) | NR1I2CYP3A4CYP2D6HDAC6HDAC1 |
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-7371755-B1 | Antiviral agents | BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) | 2008-05-13 | — | — | US | disclosed |
| EP-1214317-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001019822-A1 | ANTIVIRAL AGENTS | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2001-03-22 | — | — | WO | disclosed |