Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.30 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10271799 | 0.92 | CYP3A4 (0.69) | CYP3A4 | |
| SCHEMBL15165307 | 0.91 | CYP3A4 (0.58) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL1699558 | 0.91 | CYP3A4 (0.58) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL10272000 | 0.90 | CYP3A4 (0.67) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL15099671 | 0.88 | CYP3A4 (0.60) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL1699638 | 0.87 | CYP3A4 (0.59) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL10271698 | 0.87 | CYP3A4 (0.59) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL10272109 | 0.86 | CYP3A4 (0.58) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL10271704 | 0.86 | CYP3A4 (0.58) | CYP3A4NPC1CLK1RAB9A | |
| SCHEMBL10271706 | 0.86 | CYP3A4 (0.58) | CYP3A4NPC1CLK1RAB9A |
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-2012003497-A1 | NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |