Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213015 | 0.90 | ALDH1A1 (0.46) | ALDH1A1TDP1HSP90AA1HPGDCA12 | |
| SCHEMBL7211797 | 0.82 | MAOA (0.48) | TDP1CA12CA1CA2CA9 | |
| SCHEMBL7212951 | 0.82 | NAMPT (0.46) | ALDH1A1HSP90AA1HPGDCA1CA2 | |
| SCHEMBL6564213 | 0.78 | CXCR1 (0.42) | ALDH1A1HSP90AA1HPGDCA12CA1 | |
| SCHEMBL6563381 | 0.76 | MAPK1 (0.43) | ALDH1A1HSP90AA1HPGDCA12CA1 | |
| SCHEMBL30448496 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TDP1HSP90AA1HPGDCA12 | |
| SCHEMBL7656153 | 0.75 | MMP2 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7211897 | 0.74 | CXCR2 (0.50) | DRD2MAPT | |
| SCHEMBL3911624 | 0.74 | HDAC1 (0.60) | ALDH1A1TDP1LMNAMAPT | |
| SCHEMBL7212993 | 0.73 | CXCR2 (0.54) | TDP1CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1237548-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-07-23 | — | — | EP | disclosed |
| EP-1237548-A1 | IL-8 RECEPTOR ANTAGONISTS | SmithKline Beecham Corporation (US) | 2002-09-11 | — | — | EP | disclosed |
| WO-2001034141-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |