Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | SELE | P16581 | 1/20 | 0.48 |
| ▸ | PRNP | P04156 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL2895952 | 0.84 | GPR35 (0.62) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL9756981 | 0.82 | MAPK1 (0.53) | GPR35PKMICAM1SELECA12 | |
| SCHEMBL2893771 | 0.81 | GPR35 (0.58) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL122587 | 0.81 | GPR35 (0.58) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL1066852 | 0.81 | GPR35 (0.58) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL2896475 | 0.81 | GPR35 (0.58) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL3484085 | 0.80 | GPR35 (0.57) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL14691616 | 0.80 | CA12 (0.53) | NPSR1ICAM1SELECA12ALDH1A1 | |
| SCHEMBL10948748 | 0.79 | TBXAS1 (0.60) | GPR35TBXAS1RXFP1PKMNPSR1 | |
| SCHEMBL9613211 | 0.79 | TBXAS1 (0.60) | GPR35TBXAS1RXFP1PKMNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991019475-A2 | QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-12-26 | — | — | WO | disclosed |
| US-5041453-A | Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-08-20 | — | — | US | disclosed |