Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 15/20 | 0.57 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | PRKX | P51817 | 1/20 | 0.45 |
| ▸ | NEK4 | P51957 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.45 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.45 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8871160 | 1.00 | CXCR2 (0.57) | CXCR2MAPKAPK2CXCR1HDAC1ROCK1 | |
| SCHEMBL9148479 | 1.00 | CXCR2 (0.57) | CXCR2MAPKAPK2CXCR1HDAC1ROCK1 | |
| SCHEMBL8871512 | 0.83 | MAPKAPK2 (0.65) | CXCR2MAPKAPK2ROCK1AURKBDCLK1 | |
| SCHEMBL8870870 | 0.83 | MAPKAPK2 (0.65) | CXCR2MAPKAPK2ROCK1AURKBDCLK1 | |
| SCHEMBL9146091 | 0.83 | MAPKAPK2 (0.65) | CXCR2MAPKAPK2ROCK1AURKBDCLK1 | |
| SCHEMBL4366728 | 0.81 | MAPKAPK2 (0.76) | CXCR2MAPKAPK2CXCR1ROCK1AURKB | |
| SCHEMBL4364127 | 0.81 | MAPKAPK2 (0.76) | CXCR2MAPKAPK2CXCR1ROCK1AURKB | |
| SCHEMBL8373592 | 0.80 | ABCC9 (0.51) | CXCR2MAPKAPK2HDAC1ROCK1AURKB | |
| SCHEMBL13076021 | 0.78 | CXCR2 (0.60) | CXCR2CXCR1CCR6 | |
| SCHEMBL8870499 | 0.78 | CXCR2 (0.47) | CXCR2MAPKAPK2CXCR1ROCK1AURKB |
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 |
|---|---|---|---|---|---|---|---|
| US-5605909-A | REDUCING ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| US-5532245-A | TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| US-5466712-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |