Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL176645 | 0.91 | DPP4 (0.50) | ADRA2AADRA2CTRPA1TAAR1 | |
| SCHEMBL101141 | 0.91 | DPP4 (0.50) | ADRA2AADRA2CTRPA1TAAR1 | |
| SCHEMBL30559582 | 0.91 | DPP4 (0.50) | ADRA2AADRA2CTRPA1TAAR1 | |
| SCHEMBL101140 | 0.91 | DPP4 (0.50) | ADRA2AADRA2CTRPA1TAAR1 | |
| Hydrochloric Acid SCHEMBL20972918 | 0.89 | SCN4A (0.48) | ALDH1A1TRPA1TAAR1 | |
| Hydrochloric Acid SCHEMBL19554902 | 0.89 | SCN4A (0.48) | ALDH1A1TRPA1TAAR1 | |
| Ammonia Solution, Strong SCHEMBL13737655 | 0.89 | SCN4A (0.48) | ADRA2AADRA2CTRPA1TAAR1 | |
| Hydrochloric Acid SCHEMBL30450281 | 0.86 | GRIN2D (0.47) | ADRA2AADRA2CTRPA1TAAR1 | |
| Hydrochloric Acid SCHEMBL30450135 | 0.86 | GRIN2D (0.47) | ADRA2AADRA2CTRPA1TAAR1 | |
| Phenol SCHEMBL28231638 | 0.83 | CA12 (0.48) | LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077996-A1 | PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS | ESTEVE QUIMICA, S.A. (ES) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008017669-A1 | PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS | ESTEVE QUÍMICA, S. A. (ES) | 2008-02-14 | — | — | WO | disclosed |