Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL243700 | 0.97 | PSIP1 (0.50) | PSIP1CYP3A4DHODHMAPTTP53 | |
| SCHEMBL246425 | 0.93 | PSIP1 (0.47) | PSIP1CYP3A4DHODHMAPTKDM4E | |
| SCHEMBL20021158 | 0.93 | PSIP1 (0.47) | PSIP1CYP3A4DHODHMAPTKDM4E | |
| SCHEMBL245429 | 0.92 | PSIP1 (0.45) | PSIP1CYP3A4DHODHMAPTKDM4E | |
| SCHEMBL247215 | 0.90 | PSIP1 (0.45) | PSIP1CYP3A4DHODHMAPTTACR3 | |
| SCHEMBL20021109 | 0.90 | PSIP1 (0.46) | PSIP1CYP3A4DHODHMAPTKDM4E | |
| SCHEMBL244852 | 0.90 | PSIP1 (0.46) | PSIP1CYP3A4DHODHMAPTKDM4E | |
| SCHEMBL15182560 | 0.89 | PSIP1 (0.41) | PSIP1CYP3A4DHODHMAPTTP53 | |
| SCHEMBL251691 | 0.88 | PSIP1 (0.45) | PSIP1CYP3A4 | |
| SCHEMBL20021185 | 0.88 | PSIP1 (0.45) | PSIP1CYP3A4 |
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 |