Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL254170 | 1.00 | PSIP1 (0.31) | PSIP1DHODHCYP3A4LTB4RCRHR1 | |
| SCHEMBL245474 | 0.85 | PLA2G2A (0.38) | PSIP1DHODHCYP3A4LTB4RESR1 | |
| SCHEMBL245473 | 0.85 | PLA2G2A (0.38) | PSIP1DHODHCYP3A4LTB4RESR1 | |
| SCHEMBL245437 | 0.85 | CRHR1 (0.34) | PSIP1CYP3A4CRHR1 | |
| SCHEMBL245438 | 0.85 | CRHR1 (0.34) | PSIP1CYP3A4CRHR1 | |
| SCHEMBL245573 | 0.83 | MCHR1 (0.37) | PSIP1DHODHCYP3A4LTB4RCRHR1 | |
| SCHEMBL245574 | 0.83 | MCHR1 (0.37) | PSIP1DHODHCYP3A4LTB4RCRHR1 | |
| SCHEMBL3300113 | 0.83 | AURKA (0.39) | DHODHESR1ESR2 | |
| SCHEMBL244790 | 0.83 | CRHR1 (0.33) | PSIP1CYP3A4CRHR1 | |
| SCHEMBL244789 | 0.83 | CRHR1 (0.33) | PSIP1CYP3A4CRHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588455-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |