Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FPR1 | P21462 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL245226 | 1.00 | PSIP1 (0.48) | PSIP1CYP3A4DHODHFABP3FABP4 | |
| SCHEMBL245088 | 0.92 | PSIP1 (0.48) | PSIP1CYP3A4DHODHKCNH2 | |
| SCHEMBL245419 | 0.91 | PSIP1 (0.45) | PSIP1CYP3A4DHODHKDM4EMEN1 | |
| SCHEMBL3295273 | 0.91 | PSIP1 (0.47) | PSIP1CYP3A4DHODHKDM4EKCNH2 | |
| SCHEMBL15182617 | 0.90 | CYP3A4 (0.39) | PSIP1CYP3A4DHODHFABP3FABP4 | |
| SCHEMBL244698 | 0.90 | PSIP1 (0.46) | PSIP1CYP3A4DHODH | |
| SCHEMBL243304 | 0.90 | PSIP1 (0.46) | PSIP1CYP3A4DHODHKCNH2 | |
| SCHEMBL245450 | 0.89 | PSIP1 (0.45) | PSIP1CYP3A4DHODHKDM4EMEN1 | |
| SCHEMBL244126 | 0.88 | PSIP1 (0.45) | PSIP1CYP3A4DHODHKCNH2 | |
| SCHEMBL244914 | 0.88 | PSIP1 (0.51) | PSIP1CYP3A4DHODHFABP3FABP4 |
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 |