Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL3322921 | 0.92 | PSIP1 (0.39) | PSIP1ALDH1A1LMNAKDM4EHTT | |
| SCHEMBL244377 | 0.90 | CYP3A4 (0.35) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL244376 | 0.90 | CYP3A4 (0.35) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL3298377 | 0.82 | AR (0.30) | — | |
| SCHEMBL15165289 | 0.81 | PSIP1 (0.39) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL1699594 | 0.81 | PTGDR2 (0.40) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL1699293 | 0.80 | CYP3A4 (0.37) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL10271691 | 0.80 | CYP3A4 (0.39) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL245483 | 0.80 | PSIP1 (0.40) | CYP3A4PSIP1ALDH1A1MAPTLMNA | |
| SCHEMBL3300974 | 0.80 | PSIP1 (0.40) | CYP3A4PSIP1ALDH1A1MAPTLMNA |
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 |