Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL6135997 | 0.84 | AKR1B1 (0.50) | AKR1B1PLA2G10PLA2G2ACYP1A2CYP2C19 | |
| SCHEMBL6208255 | 0.84 | NR3C1 (0.41) | AKR1B1PLA2G10PLA2G2ANR3C1POLB | |
| SCHEMBL6817457 | 0.81 | AKR1B1 (0.40) | AKR1B1PLA2G10PLA2G2ACYP1A2CYP2C19 | |
| SCHEMBL6816973 | 0.80 | KMO (0.39) | CYP1A2LMNATSHRPRSS1PRSS2 | |
| Biphenyl SCHEMBL27587719 | 0.77 | HSD17B1 (0.36) | TSHR | |
| SCHEMBL6234919 | 0.77 | GAA (0.48) | CYP1A2CYP2C19NR3C1POLBLMNA | |
| Phenylacetic Acid SCHEMBL7249227 | 0.75 | AKR1B1 (0.63) | AKR1B1NR3C1POLBABCC4LMNA | |
| SCHEMBL27587710 | 0.74 | HSD17B1 (0.41) | — | |
| SCHEMBL8784408 | 0.72 | AKR1B1 (0.48) | AKR1B1CYP1A2CYP2C19 | |
| SCHEMBL2089056 | 0.71 | NPSR1 (0.50) | POLBLMNAGAATSHRHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1185271-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2004-02-04 | — | — | EP | disclosed |
| CN-1356902-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 2002-07-03 | — | — | CN | disclosed |
| EP-1185271-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-03-13 | — | — | EP | disclosed |
| WO-2000076515-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-12-21 | — | — | WO | disclosed |