Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15182601 | 0.88 | CYP3A4 (0.41) | CYP3A4PTGDR2KDM4ENPC1LMNA | |
| SCHEMBL3311066 | 0.86 | KDM4E (0.37) | CYP3A4PTGDR2KDM4ENPC1LMNA | |
| SCHEMBL3312482 | 0.85 | PTGDR2 (0.40) | PTGDR2KDM4E | |
| SCHEMBL3312316 | 0.78 | DHODH (0.33) | CYP3A4KDM4ELMNA | |
| SCHEMBL15186207 | 0.74 | CYP3A4 (0.42) | CYP3A4KDM4E | |
| SCHEMBL3297264 | 0.73 | CYP3A4 (0.42) | CYP3A4PTGDR2 | |
| SCHEMBL10284000 | 0.71 | KMT2A (0.35) | CYP3A4KDM4ENPC1RAB9A | |
| SCHEMBL15182600 | 0.71 | KDM4E (0.37) | CYP3A4PTGDR2KDM4E | |
| SCHEMBL3301651 | 0.71 | CYP3A4 (0.36) | CYP3A4KDM4E | |
| SCHEMBL15182599 | 0.71 | PTGES2 (0.41) | CYP3A4PTGDR2KDM4E |
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-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |