Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | PSD | A5PKW4 | 5/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.33 |
| ▸ | TRPC7 | Q9HCX4 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3301651 | 0.87 | CYP3A4 (0.36) | CYP3A4PSIP1FABP4DHODHKDM4E | |
| SCHEMBL245283 | 0.86 | PSIP1 (0.49) | CYP3A4PSIP1PSDFABP4FABP5 | |
| SCHEMBL10284000 | 0.85 | KMT2A (0.35) | CYP3A4PSIP1FABP4DHODHKDM4E | |
| SCHEMBL27910448 | 0.83 | DHODH (0.36) | PSIP1PSDTRPC3TRPC7DHODH | |
| SCHEMBL15182556 | 0.83 | PSIP1 (0.41) | CYP3A4PSIP1PSDFABP4FABP5 | |
| SCHEMBL10283998 | 0.83 | EGLN1 (0.35) | CYP3A4PSIP1DHODHKDM4EPLA2G2A | |
| SCHEMBL15182618 | 0.83 | CYP3A4 (0.40) | CYP3A4PSIP1PSDFABP4FABP5 | |
| SCHEMBL10283992 | 0.82 | KDM4E (0.39) | CYP3A4PSIP1FABP4FABP5KDM4E | |
| SCHEMBL3296191 | 0.82 | GAA (0.35) | CYP3A4PSIP1DHODHKDM4EPLA2G2A | |
| SCHEMBL3312316 | 0.81 | DHODH (0.33) | CYP3A4PSIP1DHODHKDM4EPLA2G2A |
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 |