Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.32 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.31 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CASP2 | P42575 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | CASP8 | Q14790 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511722 | 0.91 | LTB4R (0.35) | ALDH1A1HPGDKDM4EGAAGLA | |
| SCHEMBL10374275 | 0.85 | AKT1 (0.38) | ALDH1A1HPGDKDM4EGAAGLA | |
| SCHEMBL9485831 | 0.83 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EGAAGLA | |
| SCHEMBL9821761 | 0.81 | AKT1 (0.38) | ALDH1A1HPGDKDM4EGAASMN1; SMN2 | |
| SCHEMBL9512199 | 0.80 | LTB4R (0.39) | LTB4RLTB4R2KMT2A | |
| SCHEMBL10368286 | 0.79 | LTB4R (0.33) | LTB4RLTB4R2 | |
| SCHEMBL9511662 | 0.74 | ESR1 (0.33) | ALDH1A1KDM4EGAAMAPTPOLB | |
| SCHEMBL9515500 | 0.73 | LTB4R (0.42) | LTB4RLTB4R2 | |
| SCHEMBL10371731 | 0.73 | AKT1 (0.39) | ALDH1A1HPGDKDM4EGAAGLA | |
| SCHEMBL9511741 | 0.72 | ESR1 (0.32) | KDM4EGAAMAPTPOLBLTB4R |
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-0342664-B1 | 2,2-disubstituted benzopyran leukotriene-D4 antagonists | SEARLE & CO (US) | 1993-12-15 | — | — | EP | disclosed |
| US-5093353-A | 2,2-di-substituted benzopyran leukotriene-D4 antagonists | G. D. SEARLE & CO. (US) | 1992-03-03 | — | — | US | disclosed |
| EP-0342664-A2 | 2,2-disubstituted benzopyran leukotriene-D4 antagonists | G.D. Searle & Co. (US) | 1989-11-23 | — | — | EP | disclosed |